 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Feb 26 2024 21:44:19) complex          
  
 executed on             LinuxIFC date 2025.07.11  12:51:47
 running on   32 total cores
 distrk:  each k-point on    8 cores,    4 groups
 distr:  one band on NCORES_PER_BAND=   1 cores,    8 groups


--------------------------------------------------------------------------------------------------------


 INCAR:
 POTCAR:    PAW_PBE Sn_d 06Sep2000                
 POTCAR:    PAW_PBE Se 06Sep2000                  
 POTCAR:    PAW_PBE N 08Apr2002                   
 POTCAR:    PAW_PBE Sr_sv 07Sep2000               

 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      For optimal performance we recommend to set                            |
|        NCORE= 4 - approx SQRT( number of cores)                             |
|      NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE).     |
|      This setting can  greatly improve the performance of VASP for DFT.     |
|      The default,   NCORE=1            might be grossly inefficient         |
|      on modern multi-core architectures or massively parallel machines.     |
|      Do your own testing !!!!                                               |
|      Unfortunately you need to use the default for GW and RPA calculations. |
|      (for HF NCORE is supported but not extensively tested yet)             |
|                                                                             |
 ----------------------------------------------------------------------------- 


 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      You have enabled k-point parallelism (KPAR>1).                         |
|      This developmental code was originally  written by Paul Kent at ORNL,  |
|      and carefully double checked in Vienna.                                |
|      GW as well as linear response parallelism added by Martijn Marsman     |
|      and Georg Kresse.                                                      |
|      Carefully verify results versus KPAR=1.                                |
|      Report problems to Paul Kent and Vienna.                               |
|                                                                             |
 ----------------------------------------------------------------------------- 

 POTCAR:    PAW_PBE Sn_d 06Sep2000                
   VRHFIN =Sn: s2p2                                                             
   LEXCH  = PE                                                                  
   EATOM  =  1893.1092 eV,  139.1396 Ry                                         
                                                                                
   TITEL  = PAW_PBE Sn_d 06Sep2000                                              
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.300    partial core radius                                     
   POMASS =  118.710; ZVAL   =   14.000    mass and valenz                      
   RCORE  =    2.500    outmost cutoff radius                                   
   RWIGS  =    2.960; RWIGS  =    1.566    wigner-seitz radius (au A)           
   ENMAX  =  241.083; ENMIN  =  180.812 eV                                      
   ICORE  =        3    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  439.825                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.560    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.659    radius for radial grids                                 
   RDEPT  =    2.046    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
   12 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50    -29007.2859   2.0000                                         
     2  0  0.50     -4378.8056   2.0000                                         
     2  1  1.50     -3930.4293   6.0000                                         
     3  0  0.50      -845.0264   2.0000                                         
     3  1  1.50      -698.5725   6.0000                                         
     3  2  2.50      -473.2839  10.0000                                         
     4  0  0.50      -133.9036   2.0000                                         
     4  1  1.50       -89.6752   6.0000                                         
     4  2  2.50       -25.8375  10.0000                                         
     5  0  0.50       -10.5484   2.0000                                         
     5  1  0.50        -3.6940   2.0000                                         
     4  3  2.50        -2.7416   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     2    -25.8374624     23  2.500                                             
     2     -5.4423304     23  2.500                                             
     0    -10.5483727     23  2.500                                             
     0     13.6058260     23  2.500                                             
     1     -3.6939829     23  2.500                                             
     1      1.9821976     23  2.500                                             
     3     -1.3605826      7  2.500                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18
 
 POTCAR:    PAW_PBE Se 06Sep2000                  
   VRHFIN =Se: s2p4                                                             
   LEXCH  = PE                                                                  
   EATOM  =   257.1286 eV,   18.8984 Ry                                         
                                                                                
   TITEL  = PAW_PBE Se 06Sep2000                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.900    partial core radius                                     
   POMASS =   78.960; ZVAL   =    6.000    mass and valenz                      
   RCORE  =    2.100    outmost cutoff radius                                   
   RWIGS  =    2.200; RWIGS  =    1.164    wigner-seitz radius (au A)           
   ENMAX  =  211.555; ENMIN  =  158.666 eV                                      
   ICORE  =        3    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  446.842                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.147    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.177    radius for radial grids                                 
   RDEPT  =    1.928    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
   10 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50    -12503.4787   2.0000                                         
     2  0  0.50     -1606.9547   2.0000                                         
     2  1  1.50     -1413.3140   6.0000                                         
     3  0  0.50      -213.4885   2.0000                                         
     3  1  1.50      -152.9538   6.0000                                         
     3  2  2.50       -53.1221  10.0000                                         
     4  0  0.50       -17.2865   2.0000                                         
     4  1  0.50        -6.5110   4.0000                                         
     4  2  2.50        -6.8029   0.0000                                         
     4  3  2.50        -6.8029   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -17.2865377     23  2.100                                             
     0    -15.3094411     23  2.100                                             
     1     -6.5110275     23  2.100                                             
     1     -0.0695192     23  2.100                                             
     2     -6.8029130     23  2.100                                             
     3     -1.3605826      7  2.100                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           5
   number of lm-projection operators is LMMAX =          13
 
 POTCAR:    PAW_PBE N 08Apr2002                   
   VRHFIN =N: s2p3                                                              
   LEXCH  = PE                                                                  
   EATOM  =   264.5486 eV,   19.4438 Ry                                         
                                                                                
   TITEL  = PAW_PBE N 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.200    partial core radius                                     
   POMASS =   14.001; ZVAL   =    5.000    mass and valenz                      
   RCORE  =    1.500    outmost cutoff radius                                   
   RWIGS  =    1.400; RWIGS  =    0.741    wigner-seitz radius (au A)           
   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  627.112                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.529    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.514    radius for radial grids                                 
   RDEPT  =    1.338    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50      -384.7179   2.0000                                         
     2  0  0.50       -18.5828   2.0000                                         
     2  1  0.50        -7.0898   3.0000                                         
     3  2  1.50        -6.8029   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -18.5828119     23  1.200                                             
     0    -13.5018863     23  1.200                                             
     1     -7.0897853     23  1.500                                             
     1      9.5240782     23  1.500                                             
     2     -6.8029130      7  1.500                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 POTCAR:    PAW_PBE Sr_sv 07Sep2000               
   VRHFIN =Sr: 4s4p5s                                                           
   LEXCH  = PE                                                                  
   EATOM  =   843.0319 eV,   61.9611 Ry                                         
                                                                                
   TITEL  = PAW_PBE Sr_sv 07Sep2000                                             
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.200    partial core radius                                     
   POMASS =   87.620; ZVAL   =   10.000    mass and valenz                      
   RCORE  =    2.500    outmost cutoff radius                                   
   RWIGS  =    4.040; RWIGS  =    2.138    wigner-seitz radius (au A)           
   ENMAX  =  229.353; ENMIN  =  172.014 eV                                      
   RCLOC  =    2.201    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  366.804                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.547    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.562    radius for radial grids                                 
   RDEPT  =    2.128    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
   10 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50    -15934.8930   2.0000                                         
     2  0  0.50     -2157.6250   2.0000                                         
     2  1  1.50     -1917.0034   6.0000                                         
     3  0  0.50      -333.7288   2.0000                                         
     3  1  1.50      -256.0992   6.0000                                         
     3  2  2.50      -127.9971  10.0000                                         
     4  0  0.50       -40.8953   2.0000                                         
     5  0  0.50        -3.5257   1.9990                                         
     4  1  1.50       -22.8179   6.0000                                         
     4  2  1.50        -1.2815   0.0010                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -40.8953213     23  2.480                                             
     0     -3.5257161     23  2.480                                             
     1    -22.8178632     23  2.500                                             
     1    -24.1784458     23  2.500                                             
     2     -1.2814598     23  2.500                                             
     2      0.2279365     23  2.500                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18
 
  PAW_PBE Sn_d 06Sep2000                :
 energy of atom  1       EATOM=-1893.1092
 kinetic energy error for atom=    0.0026 (will be added to EATOM!!)
  PAW_PBE Se 06Sep2000                  :
 energy of atom  2       EATOM= -257.1286
 kinetic energy error for atom=    0.0007 (will be added to EATOM!!)
  PAW_PBE N 08Apr2002                   :
 energy of atom  3       EATOM= -264.5486
 kinetic energy error for atom=    0.0125 (will be added to EATOM!!)
  PAW_PBE Sr_sv 07Sep2000               :
 energy of atom  4       EATOM= -843.0319
 kinetic energy error for atom=    0.0010 (will be added to EATOM!!)
 
 
 POSCAR: 11                                      
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


--------------------------------------------------------------------------------------------------------


 ion  position               nearest neighbor table
   1  0.000  0.000  0.594-   2 2.74   2 2.74   2 2.74   3 2.91   3 2.91   3 2.91   5 3.96
   2  0.667  0.333  0.633-   1 2.74   1 2.74   1 2.74
   3  0.333  0.667  0.548-   1 2.91   1 2.91   1 2.91   5 3.14   5 3.14   5 3.14
   4  0.667  0.333  0.454-   6 2.55   6 2.55   6 2.55   5 2.76   5 2.76   5 2.76
   5  0.000  0.000  0.493-   4 2.76   4 2.76   4 2.76   3 3.14   3 3.14   3 3.14   6 3.54   6 3.54
                             6 3.54   1 3.96
   6  0.333  0.667  0.425-   4 2.55   4 2.55   4 2.55   5 3.54   5 3.54   5 3.54
 
  LATTYP: Found a hexagonal cell.
 ALAT       =     3.9501156202
 C/A-ratio  =     9.9749454402
  
  Lattice vectors:
  
 A1 = (   3.9501156207,   0.0000000002,   0.0000000000)
 A2 = (  -1.9750578097,   3.4209004743,   0.0000000000)
 A3 = (  -0.0000000000,   0.0000000000,  39.4021877938)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 hexagonal supercell.


 Subroutine GETGRP returns: Found  6 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 hexagonal supercell.


 Subroutine GETGRP returns: Found  6 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_3v.


Analysis of structural, dynamic, and magnetic symmetry:
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 hexagonal supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The (compounded) configuration has the point symmetry C_1 .


 Subroutine INISYM returns: Found  1 space group operations
 (whereof  1 operations are pure point group operations),
 and found     1 'primitive' translations

 
 
 KPOINTS: K-Spacing Value to Generate K-Mesh: 0.02

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    256 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.062500  0.000000 -0.000000      1.000000
  0.125000  0.000000 -0.000000      1.000000
  0.187500  0.000000 -0.000000      1.000000
  0.250000  0.000000 -0.000000      1.000000
  0.312500  0.000000 -0.000000      1.000000
  0.375000  0.000000 -0.000000      1.000000
  0.437500  0.000000 -0.000000      1.000000
  0.500000  0.000000 -0.000000      1.000000
 -0.437500  0.000000  0.000000      1.000000
 -0.375000 -0.000000  0.000000      1.000000
 -0.312500 -0.000000  0.000000      1.000000
 -0.250000  0.000000  0.000000      1.000000
 -0.187500 -0.000000  0.000000      1.000000
 -0.125000  0.000000  0.000000      1.000000
 -0.062500  0.000000  0.000000      1.000000
 -0.000000  0.062500 -0.000000      1.000000
  0.062500  0.062500 -0.000000      1.000000
  0.125000  0.062500 -0.000000      1.000000
  0.187500  0.062500 -0.000000      1.000000
  0.250000  0.062500 -0.000000      1.000000
  0.312500  0.062500  0.000000      1.000000
  0.375000  0.062500 -0.000000      1.000000
  0.437500  0.062500 -0.000000      1.000000
  0.500000  0.062500 -0.000000      1.000000
 -0.437500  0.062500  0.000000      1.000000
 -0.375000  0.062500  0.000000      1.000000
 -0.312500  0.062500  0.000000      1.000000
 -0.250000  0.062500  0.000000      1.000000
 -0.187500  0.062500 -0.000000      1.000000
 -0.125000  0.062500 -0.000000      1.000000
 -0.062500  0.062500 -0.000000      1.000000
 -0.000000  0.125000 -0.000000      1.000000
  0.062500  0.125000 -0.000000      1.000000
  0.125000  0.125000 -0.000000      1.000000
  0.187500  0.125000 -0.000000      1.000000
  0.250000  0.125000 -0.000000      1.000000
  0.312500  0.125000 -0.000000      1.000000
  0.375000  0.125000 -0.000000      1.000000
  0.437500  0.125000 -0.000000      1.000000
  0.500000  0.125000 -0.000000      1.000000
 -0.437500  0.125000  0.000000      1.000000
 -0.375000  0.125000 -0.000000      1.000000
 -0.312500  0.125000 -0.000000      1.000000
 -0.250000  0.125000 -0.000000      1.000000
 -0.187500  0.125000 -0.000000      1.000000
 -0.125000  0.125000 -0.000000      1.000000
 -0.062500  0.125000  0.000000      1.000000
  0.000000  0.187500 -0.000000      1.000000
  0.062500  0.187500  0.000000      1.000000
  0.125000  0.187500 -0.000000      1.000000
  0.187500  0.187500 -0.000000      1.000000
  0.250000  0.187500 -0.000000      1.000000
  0.312500  0.187500 -0.000000      1.000000
  0.375000  0.187500 -0.000000      1.000000
  0.437500  0.187500 -0.000000      1.000000
  0.500000  0.187500  0.000000      1.000000
 -0.437500  0.187500  0.000000      1.000000
 -0.375000  0.187500  0.000000      1.000000
 -0.312500  0.187500 -0.000000      1.000000
 -0.250000  0.187500 -0.000000      1.000000
 -0.187500  0.187500  0.000000      1.000000
 -0.125000  0.187500  0.000000      1.000000
 -0.062500  0.187500 -0.000000      1.000000
 -0.000000  0.250000 -0.000000      1.000000
  0.062500  0.250000 -0.000000      1.000000
  0.125000  0.250000 -0.000000      1.000000
  0.187500  0.250000 -0.000000      1.000000
  0.250000  0.250000 -0.000000      1.000000
  0.312500  0.250000 -0.000000      1.000000
  0.375000  0.250000 -0.000000      1.000000
  0.437500  0.250000 -0.000000      1.000000
  0.500000  0.250000 -0.000000      1.000000
 -0.437500  0.250000 -0.000000      1.000000
 -0.375000  0.250000 -0.000000      1.000000
 -0.312500  0.250000  0.000000      1.000000
 -0.250000  0.250000 -0.000000      1.000000
 -0.187500  0.250000 -0.000000      1.000000
 -0.125000  0.250000  0.000000      1.000000
 -0.062500  0.250000 -0.000000      1.000000
 -0.000000  0.312500 -0.000000      1.000000
  0.062500  0.312500 -0.000000      1.000000
  0.125000  0.312500 -0.000000      1.000000
  0.187500  0.312500 -0.000000      1.000000
  0.250000  0.312500 -0.000000      1.000000
  0.312500  0.312500 -0.000000      1.000000
  0.375000  0.312500 -0.000000      1.000000
  0.437500  0.312500 -0.000000      1.000000
  0.500000  0.312500 -0.000000      1.000000
 -0.437500  0.312500 -0.000000      1.000000
 -0.375000  0.312500  0.000000      1.000000
 -0.312500  0.312500  0.000000      1.000000
 -0.250000  0.312500  0.000000      1.000000
 -0.187500  0.312500 -0.000000      1.000000
 -0.125000  0.312500 -0.000000      1.000000
 -0.062500  0.312500 -0.000000      1.000000
  0.000000  0.375000 -0.000000      1.000000
  0.062500  0.375000  0.000000      1.000000
  0.125000  0.375000  0.000000      1.000000
  0.187500  0.375000 -0.000000      1.000000
  0.250000  0.375000 -0.000000      1.000000
  0.312500  0.375000 -0.000000      1.000000
  0.375000  0.375000 -0.000000      1.000000
  0.437500  0.375000 -0.000000      1.000000
  0.500000  0.375000 -0.000000      1.000000
 -0.437500  0.375000 -0.000000      1.000000
 -0.375000  0.375000  0.000000      1.000000
 -0.312500  0.375000 -0.000000      1.000000
 -0.250000  0.375000  0.000000      1.000000
 -0.187500  0.375000 -0.000000      1.000000
 -0.125000  0.375000 -0.000000      1.000000
 -0.062500  0.375000 -0.000000      1.000000
  0.000000  0.437500 -0.000000      1.000000
  0.062500  0.437500  0.000000      1.000000
  0.125000  0.437500 -0.000000      1.000000
  0.187500  0.437500  0.000000      1.000000
  0.250000  0.437500 -0.000000      1.000000
  0.312500  0.437500 -0.000000      1.000000
  0.375000  0.437500 -0.000000      1.000000
  0.437500  0.437500 -0.000000      1.000000
  0.500000  0.437500  0.000000      1.000000
 -0.437500  0.437500 -0.000000      1.000000
 -0.375000  0.437500 -0.000000      1.000000
 -0.312500  0.437500 -0.000000      1.000000
 -0.250000  0.437500 -0.000000      1.000000
 -0.187500  0.437500 -0.000000      1.000000
 -0.125000  0.437500 -0.000000      1.000000
 -0.062500  0.437500 -0.000000      1.000000
 -0.000000  0.500000 -0.000000      1.000000
  0.062500  0.500000 -0.000000      1.000000
  0.125000  0.500000 -0.000000      1.000000
  0.187500  0.500000 -0.000000      1.000000
  0.250000  0.500000 -0.000000      1.000000
  0.312500  0.500000 -0.000000      1.000000
  0.375000  0.500000 -0.000000      1.000000
  0.437500  0.500000 -0.000000      1.000000
  0.500000  0.500000 -0.000000      1.000000
 -0.437500  0.500000 -0.000000      1.000000
 -0.375000  0.500000 -0.000000      1.000000
 -0.312500  0.500000 -0.000000      1.000000
 -0.250000  0.500000  0.000000      1.000000
 -0.187500  0.500000 -0.000000      1.000000
 -0.125000  0.500000 -0.000000      1.000000
 -0.062500  0.500000 -0.000000      1.000000
  0.000000 -0.437500  0.000000      1.000000
  0.062500 -0.437500  0.000000      1.000000
  0.125000 -0.437500  0.000000      1.000000
  0.187500 -0.437500  0.000000      1.000000
  0.250000 -0.437500  0.000000      1.000000
  0.312500 -0.437500  0.000000      1.000000
  0.375000 -0.437500  0.000000      1.000000
  0.437500 -0.437500  0.000000      1.000000
  0.500000 -0.437500  0.000000      1.000000
 -0.437500 -0.437500  0.000000      1.000000
 -0.375000 -0.437500  0.000000      1.000000
 -0.312500 -0.437500  0.000000      1.000000
 -0.250000 -0.437500  0.000000      1.000000
 -0.187500 -0.437500  0.000000      1.000000
 -0.125000 -0.437500  0.000000      1.000000
 -0.062500 -0.437500  0.000000      1.000000
  0.000000 -0.375000  0.000000      1.000000
  0.062500 -0.375000  0.000000      1.000000
  0.125000 -0.375000  0.000000      1.000000
  0.187500 -0.375000  0.000000      1.000000
  0.250000 -0.375000  0.000000      1.000000
  0.312500 -0.375000  0.000000      1.000000
  0.375000 -0.375000  0.000000      1.000000
  0.437500 -0.375000  0.000000      1.000000
  0.500000 -0.375000  0.000000      1.000000
 -0.437500 -0.375000  0.000000      1.000000
 -0.375000 -0.375000  0.000000      1.000000
 -0.312500 -0.375000  0.000000      1.000000
 -0.250000 -0.375000  0.000000      1.000000
 -0.187500 -0.375000  0.000000      1.000000
 -0.125000 -0.375000  0.000000      1.000000
 -0.062500 -0.375000  0.000000      1.000000
  0.000000 -0.312500  0.000000      1.000000
  0.062500 -0.312500  0.000000      1.000000
  0.125000 -0.312500  0.000000      1.000000
  0.187500 -0.312500  0.000000      1.000000
  0.250000 -0.312500  0.000000      1.000000
  0.312500 -0.312500  0.000000      1.000000
  0.375000 -0.312500  0.000000      1.000000
  0.437500 -0.312500  0.000000      1.000000
  0.500000 -0.312500  0.000000      1.000000
 -0.437500 -0.312500  0.000000      1.000000
 -0.375000 -0.312500  0.000000      1.000000
 -0.312500 -0.312500  0.000000      1.000000
 -0.250000 -0.312500  0.000000      1.000000
 -0.187500 -0.312500  0.000000      1.000000
 -0.125000 -0.312500  0.000000      1.000000
 -0.062500 -0.312500  0.000000      1.000000
  0.000000 -0.250000  0.000000      1.000000
  0.062500 -0.250000  0.000000      1.000000
  0.125000 -0.250000  0.000000      1.000000
  0.187500 -0.250000  0.000000      1.000000
  0.250000 -0.250000  0.000000      1.000000
  0.312500 -0.250000  0.000000      1.000000
  0.375000 -0.250000  0.000000      1.000000
  0.437500 -0.250000  0.000000      1.000000
  0.500000 -0.250000  0.000000      1.000000
 -0.437500 -0.250000  0.000000      1.000000
 -0.375000 -0.250000  0.000000      1.000000
 -0.312500 -0.250000  0.000000      1.000000
 -0.250000 -0.250000  0.000000      1.000000
 -0.187500 -0.250000  0.000000      1.000000
 -0.125000 -0.250000  0.000000      1.000000
 -0.062500 -0.250000  0.000000      1.000000
  0.000000 -0.187500  0.000000      1.000000
  0.062500 -0.187500  0.000000      1.000000
  0.125000 -0.187500  0.000000      1.000000
  0.187500 -0.187500  0.000000      1.000000
  0.250000 -0.187500  0.000000      1.000000
  0.312500 -0.187500  0.000000      1.000000
  0.375000 -0.187500 -0.000000      1.000000
  0.437500 -0.187500 -0.000000      1.000000
  0.500000 -0.187500  0.000000      1.000000
 -0.437500 -0.187500  0.000000      1.000000
 -0.375000 -0.187500  0.000000      1.000000
 -0.312500 -0.187500  0.000000      1.000000
 -0.250000 -0.187500  0.000000      1.000000
 -0.187500 -0.187500  0.000000      1.000000
 -0.125000 -0.187500  0.000000      1.000000
 -0.062500 -0.187500  0.000000      1.000000
  0.000000 -0.125000  0.000000      1.000000
  0.062500 -0.125000  0.000000      1.000000
  0.125000 -0.125000  0.000000      1.000000
  0.187500 -0.125000  0.000000      1.000000
  0.250000 -0.125000  0.000000      1.000000
  0.312500 -0.125000  0.000000      1.000000
  0.375000 -0.125000  0.000000      1.000000
  0.437500 -0.125000 -0.000000      1.000000
  0.500000 -0.125000 -0.000000      1.000000
 -0.437500 -0.125000  0.000000      1.000000
 -0.375000 -0.125000  0.000000      1.000000
 -0.312500 -0.125000  0.000000      1.000000
 -0.250000 -0.125000  0.000000      1.000000
 -0.187500 -0.125000  0.000000      1.000000
 -0.125000 -0.125000  0.000000      1.000000
 -0.062500 -0.125000  0.000000      1.000000
  0.000000 -0.062500  0.000000      1.000000
  0.062500 -0.062500  0.000000      1.000000
  0.125000 -0.062500  0.000000      1.000000
  0.187500 -0.062500  0.000000      1.000000
  0.250000 -0.062500 -0.000000      1.000000
  0.312500 -0.062500 -0.000000      1.000000
  0.375000 -0.062500  0.000000      1.000000
  0.437500 -0.062500 -0.000000      1.000000
  0.500000 -0.062500  0.000000      1.000000
 -0.437500 -0.062500  0.000000      1.000000
 -0.375000 -0.062500  0.000000      1.000000
 -0.312500 -0.062500  0.000000      1.000000
 -0.250000 -0.062500  0.000000      1.000000
 -0.187500 -0.062500  0.000000      1.000000
 -0.125000 -0.062500  0.000000      1.000000
 -0.062500 -0.062500  0.000000      1.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.015822  0.009135 -0.000000      1.000000
  0.031645  0.018270 -0.000000      1.000000
  0.047467  0.027405 -0.000000      1.000000
  0.063289  0.036540 -0.000000      1.000000
  0.079112  0.045675 -0.000000      1.000000
  0.094934  0.054810 -0.000000      1.000000
  0.110756  0.063945 -0.000000      1.000000
  0.126579  0.073080 -0.000000      1.000000
 -0.110756 -0.063945  0.000000      1.000000
 -0.094934 -0.054810  0.000000      1.000000
 -0.079112 -0.045675  0.000000      1.000000
 -0.063289 -0.036540  0.000000      1.000000
 -0.047467 -0.027405  0.000000      1.000000
 -0.031645 -0.018270  0.000000      1.000000
 -0.015822 -0.009135  0.000000      1.000000
 -0.000000  0.018270 -0.000000      1.000000
  0.015822  0.027405 -0.000000      1.000000
  0.031645  0.036540 -0.000000      1.000000
  0.047467  0.045675 -0.000000      1.000000
  0.063289  0.054810 -0.000000      1.000000
  0.079112  0.063945 -0.000000      1.000000
  0.094934  0.073080 -0.000000      1.000000
  0.110756  0.082215 -0.000000      1.000000
  0.126579  0.091350 -0.000000      1.000000
 -0.110756 -0.045675 -0.000000      1.000000
 -0.094934 -0.036540 -0.000000      1.000000
 -0.079112 -0.027405 -0.000000      1.000000
 -0.063289 -0.018270 -0.000000      1.000000
 -0.047467 -0.009135 -0.000000      1.000000
 -0.031645  0.000000 -0.000000      1.000000
 -0.015822  0.009135 -0.000000      1.000000
 -0.000000  0.036540 -0.000000      1.000000
  0.015822  0.045675 -0.000000      1.000000
  0.031645  0.054810 -0.000000      1.000000
  0.047467  0.063945 -0.000000      1.000000
  0.063289  0.073080 -0.000000      1.000000
  0.079112  0.082215 -0.000000      1.000000
  0.094934  0.091350 -0.000000      1.000000
  0.110756  0.100485 -0.000000      1.000000
  0.126579  0.109620 -0.000000      1.000000
 -0.110756 -0.027405 -0.000000      1.000000
 -0.094934 -0.018270 -0.000000      1.000000
 -0.079112 -0.009135 -0.000000      1.000000
 -0.063289  0.000000 -0.000000      1.000000
 -0.047467  0.009135 -0.000000      1.000000
 -0.031645  0.018270 -0.000000      1.000000
 -0.015822  0.027405 -0.000000      1.000000
 -0.000000  0.054810 -0.000000      1.000000
  0.015822  0.063945 -0.000000      1.000000
  0.031645  0.073080 -0.000000      1.000000
  0.047467  0.082215 -0.000000      1.000000
  0.063289  0.091350 -0.000000      1.000000
  0.079112  0.100485 -0.000000      1.000000
  0.094934  0.109620 -0.000000      1.000000
  0.110756  0.118755 -0.000000      1.000000
  0.126579  0.127890 -0.000000      1.000000
 -0.110756 -0.009135 -0.000000      1.000000
 -0.094934  0.000000 -0.000000      1.000000
 -0.079112  0.009135 -0.000000      1.000000
 -0.063289  0.018270 -0.000000      1.000000
 -0.047467  0.027405 -0.000000      1.000000
 -0.031645  0.036540 -0.000000      1.000000
 -0.015822  0.045675 -0.000000      1.000000
 -0.000000  0.073080 -0.000000      1.000000
  0.015822  0.082215 -0.000000      1.000000
  0.031645  0.091350 -0.000000      1.000000
  0.047467  0.100485 -0.000000      1.000000
  0.063289  0.109620 -0.000000      1.000000
  0.079112  0.118755 -0.000000      1.000000
  0.094934  0.127890 -0.000000      1.000000
  0.110756  0.137025 -0.000000      1.000000
  0.126579  0.146160 -0.000000      1.000000
 -0.110756  0.009135 -0.000000      1.000000
 -0.094934  0.018270 -0.000000      1.000000
 -0.079112  0.027405 -0.000000      1.000000
 -0.063289  0.036540 -0.000000      1.000000
 -0.047467  0.045675 -0.000000      1.000000
 -0.031645  0.054810 -0.000000      1.000000
 -0.015822  0.063945 -0.000000      1.000000
 -0.000000  0.091350 -0.000000      1.000000
  0.015822  0.100485 -0.000000      1.000000
  0.031645  0.109620 -0.000000      1.000000
  0.047467  0.118755 -0.000000      1.000000
  0.063289  0.127890 -0.000000      1.000000
  0.079112  0.137025 -0.000000      1.000000
  0.094934  0.146160 -0.000000      1.000000
  0.110756  0.155295 -0.000000      1.000000
  0.126579  0.164430 -0.000000      1.000000
 -0.110756  0.027405 -0.000000      1.000000
 -0.094934  0.036540 -0.000000      1.000000
 -0.079112  0.045675 -0.000000      1.000000
 -0.063289  0.054810 -0.000000      1.000000
 -0.047467  0.063945 -0.000000      1.000000
 -0.031645  0.073080 -0.000000      1.000000
 -0.015822  0.082215 -0.000000      1.000000
 -0.000000  0.109620 -0.000000      1.000000
  0.015822  0.118755 -0.000000      1.000000
  0.031645  0.127890 -0.000000      1.000000
  0.047467  0.137025 -0.000000      1.000000
  0.063289  0.146160 -0.000000      1.000000
  0.079112  0.155295 -0.000000      1.000000
  0.094934  0.164430 -0.000000      1.000000
  0.110756  0.173565 -0.000000      1.000000
  0.126579  0.182700 -0.000000      1.000000
 -0.110756  0.045675 -0.000000      1.000000
 -0.094934  0.054810 -0.000000      1.000000
 -0.079112  0.063945 -0.000000      1.000000
 -0.063289  0.073080 -0.000000      1.000000
 -0.047467  0.082215 -0.000000      1.000000
 -0.031645  0.091350 -0.000000      1.000000
 -0.015822  0.100485 -0.000000      1.000000
 -0.000000  0.127890 -0.000000      1.000000
  0.015822  0.137025 -0.000000      1.000000
  0.031645  0.146160 -0.000000      1.000000
  0.047467  0.155295 -0.000000      1.000000
  0.063289  0.164430 -0.000000      1.000000
  0.079112  0.173565 -0.000000      1.000000
  0.094934  0.182700 -0.000000      1.000000
  0.110756  0.191835 -0.000000      1.000000
  0.126579  0.200970 -0.000000      1.000000
 -0.110756  0.063945 -0.000000      1.000000
 -0.094934  0.073080 -0.000000      1.000000
 -0.079112  0.082215 -0.000000      1.000000
 -0.063289  0.091350 -0.000000      1.000000
 -0.047467  0.100485 -0.000000      1.000000
 -0.031645  0.109620 -0.000000      1.000000
 -0.015822  0.118755 -0.000000      1.000000
 -0.000000  0.146160 -0.000000      1.000000
  0.015822  0.155295 -0.000000      1.000000
  0.031645  0.164430 -0.000000      1.000000
  0.047467  0.173565 -0.000000      1.000000
  0.063289  0.182700 -0.000000      1.000000
  0.079112  0.191835 -0.000000      1.000000
  0.094934  0.200970 -0.000000      1.000000
  0.110756  0.210105 -0.000000      1.000000
  0.126579  0.219241 -0.000000      1.000000
 -0.110756  0.082215 -0.000000      1.000000
 -0.094934  0.091350 -0.000000      1.000000
 -0.079112  0.100485 -0.000000      1.000000
 -0.063289  0.109620 -0.000000      1.000000
 -0.047467  0.118755 -0.000000      1.000000
 -0.031645  0.127890 -0.000000      1.000000
 -0.015822  0.137025 -0.000000      1.000000
  0.000000 -0.127890  0.000000      1.000000
  0.015822 -0.118755  0.000000      1.000000
  0.031645 -0.109620  0.000000      1.000000
  0.047467 -0.100485  0.000000      1.000000
  0.063289 -0.091350  0.000000      1.000000
  0.079112 -0.082215  0.000000      1.000000
  0.094934 -0.073080  0.000000      1.000000
  0.110756 -0.063945  0.000000      1.000000
  0.126579 -0.054810  0.000000      1.000000
 -0.110756 -0.191835  0.000000      1.000000
 -0.094934 -0.182700  0.000000      1.000000
 -0.079112 -0.173565  0.000000      1.000000
 -0.063289 -0.164430  0.000000      1.000000
 -0.047467 -0.155295  0.000000      1.000000
 -0.031645 -0.146160  0.000000      1.000000
 -0.015822 -0.137025  0.000000      1.000000
  0.000000 -0.109620  0.000000      1.000000
  0.015822 -0.100485  0.000000      1.000000
  0.031645 -0.091350  0.000000      1.000000
  0.047467 -0.082215  0.000000      1.000000
  0.063289 -0.073080  0.000000      1.000000
  0.079112 -0.063945  0.000000      1.000000
  0.094934 -0.054810  0.000000      1.000000
  0.110756 -0.045675  0.000000      1.000000
  0.126579 -0.036540  0.000000      1.000000
 -0.110756 -0.173565  0.000000      1.000000
 -0.094934 -0.164430  0.000000      1.000000
 -0.079112 -0.155295  0.000000      1.000000
 -0.063289 -0.146160  0.000000      1.000000
 -0.047467 -0.137025  0.000000      1.000000
 -0.031645 -0.127890  0.000000      1.000000
 -0.015822 -0.118755  0.000000      1.000000
  0.000000 -0.091350  0.000000      1.000000
  0.015822 -0.082215  0.000000      1.000000
  0.031645 -0.073080  0.000000      1.000000
  0.047467 -0.063945  0.000000      1.000000
  0.063289 -0.054810  0.000000      1.000000
  0.079112 -0.045675  0.000000      1.000000
  0.094934 -0.036540  0.000000      1.000000
  0.110756 -0.027405  0.000000      1.000000
  0.126579 -0.018270  0.000000      1.000000
 -0.110756 -0.155295  0.000000      1.000000
 -0.094934 -0.146160  0.000000      1.000000
 -0.079112 -0.137025  0.000000      1.000000
 -0.063289 -0.127890  0.000000      1.000000
 -0.047467 -0.118755  0.000000      1.000000
 -0.031645 -0.109620  0.000000      1.000000
 -0.015822 -0.100485  0.000000      1.000000
  0.000000 -0.073080  0.000000      1.000000
  0.015822 -0.063945  0.000000      1.000000
  0.031645 -0.054810  0.000000      1.000000
  0.047467 -0.045675  0.000000      1.000000
  0.063289 -0.036540  0.000000      1.000000
  0.079112 -0.027405  0.000000      1.000000
  0.094934 -0.018270  0.000000      1.000000
  0.110756 -0.009135  0.000000      1.000000
  0.126579 -0.000000  0.000000      1.000000
 -0.110756 -0.137025  0.000000      1.000000
 -0.094934 -0.127890  0.000000      1.000000
 -0.079112 -0.118755  0.000000      1.000000
 -0.063289 -0.109620  0.000000      1.000000
 -0.047467 -0.100485  0.000000      1.000000
 -0.031645 -0.091350  0.000000      1.000000
 -0.015822 -0.082215  0.000000      1.000000
  0.000000 -0.054810  0.000000      1.000000
  0.015822 -0.045675  0.000000      1.000000
  0.031645 -0.036540  0.000000      1.000000
  0.047467 -0.027405  0.000000      1.000000
  0.063289 -0.018270  0.000000      1.000000
  0.079112 -0.009135  0.000000      1.000000
  0.094934 -0.000000  0.000000      1.000000
  0.110756  0.009135  0.000000      1.000000
  0.126579  0.018270  0.000000      1.000000
 -0.110756 -0.118755  0.000000      1.000000
 -0.094934 -0.109620  0.000000      1.000000
 -0.079112 -0.100485  0.000000      1.000000
 -0.063289 -0.091350  0.000000      1.000000
 -0.047467 -0.082215  0.000000      1.000000
 -0.031645 -0.073080  0.000000      1.000000
 -0.015822 -0.063945  0.000000      1.000000
  0.000000 -0.036540  0.000000      1.000000
  0.015822 -0.027405  0.000000      1.000000
  0.031645 -0.018270  0.000000      1.000000
  0.047467 -0.009135  0.000000      1.000000
  0.063289 -0.000000  0.000000      1.000000
  0.079112  0.009135  0.000000      1.000000
  0.094934  0.018270  0.000000      1.000000
  0.110756  0.027405  0.000000      1.000000
  0.126579  0.036540  0.000000      1.000000
 -0.110756 -0.100485  0.000000      1.000000
 -0.094934 -0.091350  0.000000      1.000000
 -0.079112 -0.082215  0.000000      1.000000
 -0.063289 -0.073080  0.000000      1.000000
 -0.047467 -0.063945  0.000000      1.000000
 -0.031645 -0.054810  0.000000      1.000000
 -0.015822 -0.045675  0.000000      1.000000
  0.000000 -0.018270  0.000000      1.000000
  0.015822 -0.009135  0.000000      1.000000
  0.031645 -0.000000  0.000000      1.000000
  0.047467  0.009135  0.000000      1.000000
  0.063289  0.018270  0.000000      1.000000
  0.079112  0.027405  0.000000      1.000000
  0.094934  0.036540  0.000000      1.000000
  0.110756  0.045675  0.000000      1.000000
  0.126579  0.054810  0.000000      1.000000
 -0.110756 -0.082215  0.000000      1.000000
 -0.094934 -0.073080  0.000000      1.000000
 -0.079112 -0.063945  0.000000      1.000000
 -0.063289 -0.054810  0.000000      1.000000
 -0.047467 -0.045675  0.000000      1.000000
 -0.031645 -0.036540  0.000000      1.000000
 -0.015822 -0.027405  0.000000      1.000000
 


--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =    256   k-points in BZ     NKDIM =    256   number of bands    NBANDS=     72
   number of dos      NEDOS =    301   number of ions     NIONS =      6
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV = 264600
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  29336
   dimension x,y,z NGX =    30 NGY =   30 NGZ =  294
   dimension x,y,z NGXF=    60 NGYF=   60 NGZF=  588
   support grid    NGXF=    60 NGYF=   60 NGZF=  588
   ions per type =               1   2   1   2
   NGX,Y,Z   is equivalent  to a cutoff of  12.63, 12.63, 12.40 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  25.25, 25.25, 24.81 a.u.

 SYSTEM =  SnS2                                    
 POSCAR =  11                                      

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      T non collinear calculations
   LSORBIT =      T    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      T    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  520.0 eV  38.22 Ry    6.18 a.u.   7.34  7.34 73.26*2*pi/ulx,y,z
   ENINI  =  520.0     initial cutoff
   ENAUG  =  627.1 eV  augmentation charge cutoff
   NELM   =    160;   NELMIN=  4; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-05   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    4 max onsite mixed and CHGCAR
   VOSKOWN=      1    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000   0.00000   0.00000   0.00000
 Ionic relaxation
   EDIFFG = 0.1E-04   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.357E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS = 118.71 78.96 14.00 87.62
  Ionic Valenz
   ZVAL   =  14.00  6.00  5.00 10.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00 -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00  1.00  1.00
   NELECT =      51.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     0;   SIGMA  =   0.05  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.02;   BMIX     =  0.00
     AMIX_MAG =   0.40;   BMIX_MAG =  0.00
     AMIN     =   0.02
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX=  80

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.35E-08  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      88.74       598.85
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.749045  1.415490  7.633803  0.561069
  Thomas-Fermi vector in A             =   1.845474
 
 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      T    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =     11    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


 Dipole corrections
   LMONO  =      F    monopole corrections only (constant potential shift)
   LDIPOL =      F    correct potential (dipole corrections)
   IDIPOL =      3    1-x, 2-y, 3-z, 4-all directions 
   EPSILON=  1.0000000 bulk dielectric constant

 Exchange correlation treatment:
   GGA     =    PE    GGA type
   LEXCH   =     8    internal setting for exchange type
   VOSKOWN=      1    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field



--------------------------------------------------------------------------------------------------------


 Static calculation
 charge density and potential will be updated during run
 non collinear spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.0200 and BMIX =      0.0001
 Hartree-type preconditioning will be used
 using additional bands           46
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.05


--------------------------------------------------------------------------------------------------------


  energy-cutoff  :      520.00
  volume of cell :      532.44
      direct lattice vectors                 reciprocal lattice vectors
     3.950115621  0.000000000  0.000000000     0.253157147  0.146160347 -0.000000000
    -1.975057810  3.420900474  0.000000000    -0.000000000  0.292320694 -0.000000000
    -0.000000000  0.000000000 39.402187794     0.000000000  0.000000000  0.025379301

  length of vectors
     3.950115621  3.950115619 39.402187794     0.292320694  0.292320694  0.025379301


 
 k-points in units of 2pi/SCALE and weight: K-Spacing Value to Generate K-Mesh: 0.02
   0.00000000  0.00000000  0.00000000       0.004
   0.01582232  0.00913502 -0.00000000       0.004
   0.03164464  0.01827004 -0.00000000       0.004
   0.04746697  0.02740507 -0.00000000       0.004
   0.06328929  0.03654009 -0.00000000       0.004
   0.07911161  0.04567511 -0.00000000       0.004
   0.09493393  0.05481013 -0.00000000       0.004
   0.11075625  0.06394515 -0.00000000       0.004
   0.12657857  0.07308017 -0.00000000       0.004
  -0.11075625 -0.06394515  0.00000000       0.004
  -0.09493393 -0.05481013  0.00000000       0.004
  -0.07911161 -0.04567511  0.00000000       0.004
  -0.06328929 -0.03654009  0.00000000       0.004
  -0.04746697 -0.02740507  0.00000000       0.004
  -0.03164464 -0.01827004  0.00000000       0.004
  -0.01582232 -0.00913502  0.00000000       0.004
  -0.00000000  0.01827004 -0.00000000       0.004
   0.01582232  0.02740507 -0.00000000       0.004
   0.03164464  0.03654009 -0.00000000       0.004
   0.04746697  0.04567511 -0.00000000       0.004
   0.06328929  0.05481013 -0.00000000       0.004
   0.07911161  0.06394515 -0.00000000       0.004
   0.09493393  0.07308017 -0.00000000       0.004
   0.11075625  0.08221520 -0.00000000       0.004
   0.12657857  0.09135022 -0.00000000       0.004
  -0.11075625 -0.04567511 -0.00000000       0.004
  -0.09493393 -0.03654009 -0.00000000       0.004
  -0.07911161 -0.02740507 -0.00000000       0.004
  -0.06328929 -0.01827004 -0.00000000       0.004
  -0.04746697 -0.00913502 -0.00000000       0.004
  -0.03164464  0.00000000 -0.00000000       0.004
  -0.01582232  0.00913502 -0.00000000       0.004
  -0.00000000  0.03654009 -0.00000000       0.004
   0.01582232  0.04567511 -0.00000000       0.004
   0.03164464  0.05481013 -0.00000000       0.004
   0.04746697  0.06394515 -0.00000000       0.004
   0.06328929  0.07308017 -0.00000000       0.004
   0.07911161  0.08221520 -0.00000000       0.004
   0.09493393  0.09135022 -0.00000000       0.004
   0.11075625  0.10048524 -0.00000000       0.004
   0.12657857  0.10962026 -0.00000000       0.004
  -0.11075625 -0.02740507 -0.00000000       0.004
  -0.09493393 -0.01827004 -0.00000000       0.004
  -0.07911161 -0.00913502 -0.00000000       0.004
  -0.06328929  0.00000000 -0.00000000       0.004
  -0.04746697  0.00913502 -0.00000000       0.004
  -0.03164464  0.01827004 -0.00000000       0.004
  -0.01582232  0.02740507 -0.00000000       0.004
  -0.00000000  0.05481013 -0.00000000       0.004
   0.01582232  0.06394515 -0.00000000       0.004
   0.03164464  0.07308017 -0.00000000       0.004
   0.04746697  0.08221520 -0.00000000       0.004
   0.06328929  0.09135022 -0.00000000       0.004
   0.07911161  0.10048524 -0.00000000       0.004
   0.09493393  0.10962026 -0.00000000       0.004
   0.11075625  0.11875528 -0.00000000       0.004
   0.12657857  0.12789030 -0.00000000       0.004
  -0.11075625 -0.00913502 -0.00000000       0.004
  -0.09493393  0.00000000 -0.00000000       0.004
  -0.07911161  0.00913502 -0.00000000       0.004
  -0.06328929  0.01827004 -0.00000000       0.004
  -0.04746697  0.02740507 -0.00000000       0.004
  -0.03164464  0.03654009 -0.00000000       0.004
  -0.01582232  0.04567511 -0.00000000       0.004
  -0.00000000  0.07308017 -0.00000000       0.004
   0.01582232  0.08221520 -0.00000000       0.004
   0.03164464  0.09135022 -0.00000000       0.004
   0.04746697  0.10048524 -0.00000000       0.004
   0.06328929  0.10962026 -0.00000000       0.004
   0.07911161  0.11875528 -0.00000000       0.004
   0.09493393  0.12789030 -0.00000000       0.004
   0.11075625  0.13702533 -0.00000000       0.004
   0.12657857  0.14616035 -0.00000000       0.004
  -0.11075625  0.00913502 -0.00000000       0.004
  -0.09493393  0.01827004 -0.00000000       0.004
  -0.07911161  0.02740507 -0.00000000       0.004
  -0.06328929  0.03654009 -0.00000000       0.004
  -0.04746697  0.04567511 -0.00000000       0.004
  -0.03164464  0.05481013 -0.00000000       0.004
  -0.01582232  0.06394515 -0.00000000       0.004
  -0.00000000  0.09135022 -0.00000000       0.004
   0.01582232  0.10048524 -0.00000000       0.004
   0.03164464  0.10962026 -0.00000000       0.004
   0.04746697  0.11875528 -0.00000000       0.004
   0.06328929  0.12789030 -0.00000000       0.004
   0.07911161  0.13702533 -0.00000000       0.004
   0.09493393  0.14616035 -0.00000000       0.004
   0.11075625  0.15529537 -0.00000000       0.004
   0.12657857  0.16443039 -0.00000000       0.004
  -0.11075625  0.02740507 -0.00000000       0.004
  -0.09493393  0.03654009 -0.00000000       0.004
  -0.07911161  0.04567511 -0.00000000       0.004
  -0.06328929  0.05481013 -0.00000000       0.004
  -0.04746697  0.06394515 -0.00000000       0.004
  -0.03164464  0.07308017 -0.00000000       0.004
  -0.01582232  0.08221520 -0.00000000       0.004
  -0.00000000  0.10962026 -0.00000000       0.004
   0.01582232  0.11875528 -0.00000000       0.004
   0.03164464  0.12789030 -0.00000000       0.004
   0.04746697  0.13702533 -0.00000000       0.004
   0.06328929  0.14616035 -0.00000000       0.004
   0.07911161  0.15529537 -0.00000000       0.004
   0.09493393  0.16443039 -0.00000000       0.004
   0.11075625  0.17356541 -0.00000000       0.004
   0.12657857  0.18270043 -0.00000000       0.004
  -0.11075625  0.04567511 -0.00000000       0.004
  -0.09493393  0.05481013 -0.00000000       0.004
  -0.07911161  0.06394515 -0.00000000       0.004
  -0.06328929  0.07308017 -0.00000000       0.004
  -0.04746697  0.08221520 -0.00000000       0.004
  -0.03164464  0.09135022 -0.00000000       0.004
  -0.01582232  0.10048524 -0.00000000       0.004
  -0.00000000  0.12789030 -0.00000000       0.004
   0.01582232  0.13702533 -0.00000000       0.004
   0.03164464  0.14616035 -0.00000000       0.004
   0.04746697  0.15529537 -0.00000000       0.004
   0.06328929  0.16443039 -0.00000000       0.004
   0.07911161  0.17356541 -0.00000000       0.004
   0.09493393  0.18270043 -0.00000000       0.004
   0.11075625  0.19183546 -0.00000000       0.004
   0.12657857  0.20097048 -0.00000000       0.004
  -0.11075625  0.06394515 -0.00000000       0.004
  -0.09493393  0.07308017 -0.00000000       0.004
  -0.07911161  0.08221520 -0.00000000       0.004
  -0.06328929  0.09135022 -0.00000000       0.004
  -0.04746697  0.10048524 -0.00000000       0.004
  -0.03164464  0.10962026 -0.00000000       0.004
  -0.01582232  0.11875528 -0.00000000       0.004
  -0.00000000  0.14616035 -0.00000000       0.004
   0.01582232  0.15529537 -0.00000000       0.004
   0.03164464  0.16443039 -0.00000000       0.004
   0.04746697  0.17356541 -0.00000000       0.004
   0.06328929  0.18270043 -0.00000000       0.004
   0.07911161  0.19183546 -0.00000000       0.004
   0.09493393  0.20097048 -0.00000000       0.004
   0.11075625  0.21010550 -0.00000000       0.004
   0.12657857  0.21924052 -0.00000000       0.004
  -0.11075625  0.08221520 -0.00000000       0.004
  -0.09493393  0.09135022 -0.00000000       0.004
  -0.07911161  0.10048524 -0.00000000       0.004
  -0.06328929  0.10962026 -0.00000000       0.004
  -0.04746697  0.11875528 -0.00000000       0.004
  -0.03164464  0.12789030 -0.00000000       0.004
  -0.01582232  0.13702533 -0.00000000       0.004
   0.00000000 -0.12789030  0.00000000       0.004
   0.01582232 -0.11875528  0.00000000       0.004
   0.03164464 -0.10962026  0.00000000       0.004
   0.04746697 -0.10048524  0.00000000       0.004
   0.06328929 -0.09135022  0.00000000       0.004
   0.07911161 -0.08221520  0.00000000       0.004
   0.09493393 -0.07308017  0.00000000       0.004
   0.11075625 -0.06394515  0.00000000       0.004
   0.12657857 -0.05481013  0.00000000       0.004
  -0.11075625 -0.19183546  0.00000000       0.004
  -0.09493393 -0.18270043  0.00000000       0.004
  -0.07911161 -0.17356541  0.00000000       0.004
  -0.06328929 -0.16443039  0.00000000       0.004
  -0.04746697 -0.15529537  0.00000000       0.004
  -0.03164464 -0.14616035  0.00000000       0.004
  -0.01582232 -0.13702533  0.00000000       0.004
   0.00000000 -0.10962026  0.00000000       0.004
   0.01582232 -0.10048524  0.00000000       0.004
   0.03164464 -0.09135022  0.00000000       0.004
   0.04746697 -0.08221520  0.00000000       0.004
   0.06328929 -0.07308017  0.00000000       0.004
   0.07911161 -0.06394515  0.00000000       0.004
   0.09493393 -0.05481013  0.00000000       0.004
   0.11075625 -0.04567511  0.00000000       0.004
   0.12657857 -0.03654009  0.00000000       0.004
  -0.11075625 -0.17356541  0.00000000       0.004
  -0.09493393 -0.16443039  0.00000000       0.004
  -0.07911161 -0.15529537  0.00000000       0.004
  -0.06328929 -0.14616035  0.00000000       0.004
  -0.04746697 -0.13702533  0.00000000       0.004
  -0.03164464 -0.12789030  0.00000000       0.004
  -0.01582232 -0.11875528  0.00000000       0.004
   0.00000000 -0.09135022  0.00000000       0.004
   0.01582232 -0.08221520  0.00000000       0.004
   0.03164464 -0.07308017  0.00000000       0.004
   0.04746697 -0.06394515  0.00000000       0.004
   0.06328929 -0.05481013  0.00000000       0.004
   0.07911161 -0.04567511  0.00000000       0.004
   0.09493393 -0.03654009  0.00000000       0.004
   0.11075625 -0.02740507  0.00000000       0.004
   0.12657857 -0.01827004  0.00000000       0.004
  -0.11075625 -0.15529537  0.00000000       0.004
  -0.09493393 -0.14616035  0.00000000       0.004
  -0.07911161 -0.13702533  0.00000000       0.004
  -0.06328929 -0.12789030  0.00000000       0.004
  -0.04746697 -0.11875528  0.00000000       0.004
  -0.03164464 -0.10962026  0.00000000       0.004
  -0.01582232 -0.10048524  0.00000000       0.004
   0.00000000 -0.07308017  0.00000000       0.004
   0.01582232 -0.06394515  0.00000000       0.004
   0.03164464 -0.05481013  0.00000000       0.004
   0.04746697 -0.04567511  0.00000000       0.004
   0.06328929 -0.03654009  0.00000000       0.004
   0.07911161 -0.02740507  0.00000000       0.004
   0.09493393 -0.01827004  0.00000000       0.004
   0.11075625 -0.00913502  0.00000000       0.004
   0.12657857 -0.00000000  0.00000000       0.004
  -0.11075625 -0.13702533  0.00000000       0.004
  -0.09493393 -0.12789030  0.00000000       0.004
  -0.07911161 -0.11875528  0.00000000       0.004
  -0.06328929 -0.10962026  0.00000000       0.004
  -0.04746697 -0.10048524  0.00000000       0.004
  -0.03164464 -0.09135022  0.00000000       0.004
  -0.01582232 -0.08221520  0.00000000       0.004
   0.00000000 -0.05481013  0.00000000       0.004
   0.01582232 -0.04567511  0.00000000       0.004
   0.03164464 -0.03654009  0.00000000       0.004
   0.04746697 -0.02740507  0.00000000       0.004
   0.06328929 -0.01827004  0.00000000       0.004
   0.07911161 -0.00913502  0.00000000       0.004
   0.09493393 -0.00000000  0.00000000       0.004
   0.11075625  0.00913502  0.00000000       0.004
   0.12657857  0.01827004  0.00000000       0.004
  -0.11075625 -0.11875528  0.00000000       0.004
  -0.09493393 -0.10962026  0.00000000       0.004
  -0.07911161 -0.10048524  0.00000000       0.004
  -0.06328929 -0.09135022  0.00000000       0.004
  -0.04746697 -0.08221520  0.00000000       0.004
  -0.03164464 -0.07308017  0.00000000       0.004
  -0.01582232 -0.06394515  0.00000000       0.004
   0.00000000 -0.03654009  0.00000000       0.004
   0.01582232 -0.02740507  0.00000000       0.004
   0.03164464 -0.01827004  0.00000000       0.004
   0.04746697 -0.00913502  0.00000000       0.004
   0.06328929 -0.00000000  0.00000000       0.004
   0.07911161  0.00913502  0.00000000       0.004
   0.09493393  0.01827004  0.00000000       0.004
   0.11075625  0.02740507  0.00000000       0.004
   0.12657857  0.03654009  0.00000000       0.004
  -0.11075625 -0.10048524  0.00000000       0.004
  -0.09493393 -0.09135022  0.00000000       0.004
  -0.07911161 -0.08221520  0.00000000       0.004
  -0.06328929 -0.07308017  0.00000000       0.004
  -0.04746697 -0.06394515  0.00000000       0.004
  -0.03164464 -0.05481013  0.00000000       0.004
  -0.01582232 -0.04567511  0.00000000       0.004
   0.00000000 -0.01827004  0.00000000       0.004
   0.01582232 -0.00913502  0.00000000       0.004
   0.03164464 -0.00000000  0.00000000       0.004
   0.04746697  0.00913502  0.00000000       0.004
   0.06328929  0.01827004  0.00000000       0.004
   0.07911161  0.02740507  0.00000000       0.004
   0.09493393  0.03654009  0.00000000       0.004
   0.11075625  0.04567511  0.00000000       0.004
   0.12657857  0.05481013  0.00000000       0.004
  -0.11075625 -0.08221520  0.00000000       0.004
  -0.09493393 -0.07308017  0.00000000       0.004
  -0.07911161 -0.06394515  0.00000000       0.004
  -0.06328929 -0.05481013  0.00000000       0.004
  -0.04746697 -0.04567511  0.00000000       0.004
  -0.03164464 -0.03654009  0.00000000       0.004
  -0.01582232 -0.02740507  0.00000000       0.004
 
 k-points in reciprocal lattice and weights: K-Spacing Value to Generate K-Mesh: 0.02
   0.00000000  0.00000000  0.00000000       0.004
   0.06250000  0.00000000 -0.00000000       0.004
   0.12500000  0.00000000 -0.00000000       0.004
   0.18750000  0.00000000 -0.00000000       0.004
   0.25000000  0.00000000 -0.00000000       0.004
   0.31250000  0.00000000 -0.00000000       0.004
   0.37500000  0.00000000 -0.00000000       0.004
   0.43750000  0.00000000 -0.00000000       0.004
   0.50000000  0.00000000 -0.00000000       0.004
  -0.43750000  0.00000000  0.00000000       0.004
  -0.37500000 -0.00000000  0.00000000       0.004
  -0.31250000 -0.00000000  0.00000000       0.004
  -0.25000000  0.00000000  0.00000000       0.004
  -0.18750000 -0.00000000  0.00000000       0.004
  -0.12500000  0.00000000  0.00000000       0.004
  -0.06250000  0.00000000  0.00000000       0.004
  -0.00000000  0.06250000 -0.00000000       0.004
   0.06250000  0.06250000 -0.00000000       0.004
   0.12500000  0.06250000 -0.00000000       0.004
   0.18750000  0.06250000 -0.00000000       0.004
   0.25000000  0.06250000 -0.00000000       0.004
   0.31250000  0.06250000  0.00000000       0.004
   0.37500000  0.06250000 -0.00000000       0.004
   0.43750000  0.06250000 -0.00000000       0.004
   0.50000000  0.06250000 -0.00000000       0.004
  -0.43750000  0.06250000  0.00000000       0.004
  -0.37500000  0.06250000  0.00000000       0.004
  -0.31250000  0.06250000  0.00000000       0.004
  -0.25000000  0.06250000  0.00000000       0.004
  -0.18750000  0.06250000 -0.00000000       0.004
  -0.12500000  0.06250000 -0.00000000       0.004
  -0.06250000  0.06250000 -0.00000000       0.004
  -0.00000000  0.12500000 -0.00000000       0.004
   0.06250000  0.12500000 -0.00000000       0.004
   0.12500000  0.12500000 -0.00000000       0.004
   0.18750000  0.12500000 -0.00000000       0.004
   0.25000000  0.12500000 -0.00000000       0.004
   0.31250000  0.12500000 -0.00000000       0.004
   0.37500000  0.12500000 -0.00000000       0.004
   0.43750000  0.12500000 -0.00000000       0.004
   0.50000000  0.12500000 -0.00000000       0.004
  -0.43750000  0.12500000  0.00000000       0.004
  -0.37500000  0.12500000 -0.00000000       0.004
  -0.31250000  0.12500000 -0.00000000       0.004
  -0.25000000  0.12500000 -0.00000000       0.004
  -0.18750000  0.12500000 -0.00000000       0.004
  -0.12500000  0.12500000 -0.00000000       0.004
  -0.06250000  0.12500000  0.00000000       0.004
   0.00000000  0.18750000 -0.00000000       0.004
   0.06250000  0.18750000  0.00000000       0.004
   0.12500000  0.18750000 -0.00000000       0.004
   0.18750000  0.18750000 -0.00000000       0.004
   0.25000000  0.18750000 -0.00000000       0.004
   0.31250000  0.18750000 -0.00000000       0.004
   0.37500000  0.18750000 -0.00000000       0.004
   0.43750000  0.18750000 -0.00000000       0.004
   0.50000000  0.18750000  0.00000000       0.004
  -0.43750000  0.18750000  0.00000000       0.004
  -0.37500000  0.18750000  0.00000000       0.004
  -0.31250000  0.18750000 -0.00000000       0.004
  -0.25000000  0.18750000 -0.00000000       0.004
  -0.18750000  0.18750000  0.00000000       0.004
  -0.12500000  0.18750000  0.00000000       0.004
  -0.06250000  0.18750000 -0.00000000       0.004
  -0.00000000  0.25000000 -0.00000000       0.004
   0.06250000  0.25000000 -0.00000000       0.004
   0.12500000  0.25000000 -0.00000000       0.004
   0.18750000  0.25000000 -0.00000000       0.004
   0.25000000  0.25000000 -0.00000000       0.004
   0.31250000  0.25000000 -0.00000000       0.004
   0.37500000  0.25000000 -0.00000000       0.004
   0.43750000  0.25000000 -0.00000000       0.004
   0.50000000  0.25000000 -0.00000000       0.004
  -0.43750000  0.25000000 -0.00000000       0.004
  -0.37500000  0.25000000 -0.00000000       0.004
  -0.31250000  0.25000000  0.00000000       0.004
  -0.25000000  0.25000000 -0.00000000       0.004
  -0.18750000  0.25000000 -0.00000000       0.004
  -0.12500000  0.25000000  0.00000000       0.004
  -0.06250000  0.25000000 -0.00000000       0.004
  -0.00000000  0.31250000 -0.00000000       0.004
   0.06250000  0.31250000 -0.00000000       0.004
   0.12500000  0.31250000 -0.00000000       0.004
   0.18750000  0.31250000 -0.00000000       0.004
   0.25000000  0.31250000 -0.00000000       0.004
   0.31250000  0.31250000 -0.00000000       0.004
   0.37500000  0.31250000 -0.00000000       0.004
   0.43750000  0.31250000 -0.00000000       0.004
   0.50000000  0.31250000 -0.00000000       0.004
  -0.43750000  0.31250000 -0.00000000       0.004
  -0.37500000  0.31250000  0.00000000       0.004
  -0.31250000  0.31250000  0.00000000       0.004
  -0.25000000  0.31250000  0.00000000       0.004
  -0.18750000  0.31250000 -0.00000000       0.004
  -0.12500000  0.31250000 -0.00000000       0.004
  -0.06250000  0.31250000 -0.00000000       0.004
   0.00000000  0.37500000 -0.00000000       0.004
   0.06250000  0.37500000  0.00000000       0.004
   0.12500000  0.37500000  0.00000000       0.004
   0.18750000  0.37500000 -0.00000000       0.004
   0.25000000  0.37500000 -0.00000000       0.004
   0.31250000  0.37500000 -0.00000000       0.004
   0.37500000  0.37500000 -0.00000000       0.004
   0.43750000  0.37500000 -0.00000000       0.004
   0.50000000  0.37500000 -0.00000000       0.004
  -0.43750000  0.37500000 -0.00000000       0.004
  -0.37500000  0.37500000  0.00000000       0.004
  -0.31250000  0.37500000 -0.00000000       0.004
  -0.25000000  0.37500000  0.00000000       0.004
  -0.18750000  0.37500000 -0.00000000       0.004
  -0.12500000  0.37500000 -0.00000000       0.004
  -0.06250000  0.37500000 -0.00000000       0.004
   0.00000000  0.43750000 -0.00000000       0.004
   0.06250000  0.43750000  0.00000000       0.004
   0.12500000  0.43750000 -0.00000000       0.004
   0.18750000  0.43750000  0.00000000       0.004
   0.25000000  0.43750000 -0.00000000       0.004
   0.31250000  0.43750000 -0.00000000       0.004
   0.37500000  0.43750000 -0.00000000       0.004
   0.43750000  0.43750000 -0.00000000       0.004
   0.50000000  0.43750000  0.00000000       0.004
  -0.43750000  0.43750000 -0.00000000       0.004
  -0.37500000  0.43750000 -0.00000000       0.004
  -0.31250000  0.43750000 -0.00000000       0.004
  -0.25000000  0.43750000 -0.00000000       0.004
  -0.18750000  0.43750000 -0.00000000       0.004
  -0.12500000  0.43750000 -0.00000000       0.004
  -0.06250000  0.43750000 -0.00000000       0.004
  -0.00000000  0.50000000 -0.00000000       0.004
   0.06250000  0.50000000 -0.00000000       0.004
   0.12500000  0.50000000 -0.00000000       0.004
   0.18750000  0.50000000 -0.00000000       0.004
   0.25000000  0.50000000 -0.00000000       0.004
   0.31250000  0.50000000 -0.00000000       0.004
   0.37500000  0.50000000 -0.00000000       0.004
   0.43750000  0.50000000 -0.00000000       0.004
   0.50000000  0.50000000 -0.00000000       0.004
  -0.43750000  0.50000000 -0.00000000       0.004
  -0.37500000  0.50000000 -0.00000000       0.004
  -0.31250000  0.50000000 -0.00000000       0.004
  -0.25000000  0.50000000  0.00000000       0.004
  -0.18750000  0.50000000 -0.00000000       0.004
  -0.12500000  0.50000000 -0.00000000       0.004
  -0.06250000  0.50000000 -0.00000000       0.004
   0.00000000 -0.43750000  0.00000000       0.004
   0.06250000 -0.43750000  0.00000000       0.004
   0.12500000 -0.43750000  0.00000000       0.004
   0.18750000 -0.43750000  0.00000000       0.004
   0.25000000 -0.43750000  0.00000000       0.004
   0.31250000 -0.43750000  0.00000000       0.004
   0.37500000 -0.43750000  0.00000000       0.004
   0.43750000 -0.43750000  0.00000000       0.004
   0.50000000 -0.43750000  0.00000000       0.004
  -0.43750000 -0.43750000  0.00000000       0.004
  -0.37500000 -0.43750000  0.00000000       0.004
  -0.31250000 -0.43750000  0.00000000       0.004
  -0.25000000 -0.43750000  0.00000000       0.004
  -0.18750000 -0.43750000  0.00000000       0.004
  -0.12500000 -0.43750000  0.00000000       0.004
  -0.06250000 -0.43750000  0.00000000       0.004
   0.00000000 -0.37500000  0.00000000       0.004
   0.06250000 -0.37500000  0.00000000       0.004
   0.12500000 -0.37500000  0.00000000       0.004
   0.18750000 -0.37500000  0.00000000       0.004
   0.25000000 -0.37500000  0.00000000       0.004
   0.31250000 -0.37500000  0.00000000       0.004
   0.37500000 -0.37500000  0.00000000       0.004
   0.43750000 -0.37500000  0.00000000       0.004
   0.50000000 -0.37500000  0.00000000       0.004
  -0.43750000 -0.37500000  0.00000000       0.004
  -0.37500000 -0.37500000  0.00000000       0.004
  -0.31250000 -0.37500000  0.00000000       0.004
  -0.25000000 -0.37500000  0.00000000       0.004
  -0.18750000 -0.37500000  0.00000000       0.004
  -0.12500000 -0.37500000  0.00000000       0.004
  -0.06250000 -0.37500000  0.00000000       0.004
   0.00000000 -0.31250000  0.00000000       0.004
   0.06250000 -0.31250000  0.00000000       0.004
   0.12500000 -0.31250000  0.00000000       0.004
   0.18750000 -0.31250000  0.00000000       0.004
   0.25000000 -0.31250000  0.00000000       0.004
   0.31250000 -0.31250000  0.00000000       0.004
   0.37500000 -0.31250000  0.00000000       0.004
   0.43750000 -0.31250000  0.00000000       0.004
   0.50000000 -0.31250000  0.00000000       0.004
  -0.43750000 -0.31250000  0.00000000       0.004
  -0.37500000 -0.31250000  0.00000000       0.004
  -0.31250000 -0.31250000  0.00000000       0.004
  -0.25000000 -0.31250000  0.00000000       0.004
  -0.18750000 -0.31250000  0.00000000       0.004
  -0.12500000 -0.31250000  0.00000000       0.004
  -0.06250000 -0.31250000  0.00000000       0.004
   0.00000000 -0.25000000  0.00000000       0.004
   0.06250000 -0.25000000  0.00000000       0.004
   0.12500000 -0.25000000  0.00000000       0.004
   0.18750000 -0.25000000  0.00000000       0.004
   0.25000000 -0.25000000  0.00000000       0.004
   0.31250000 -0.25000000  0.00000000       0.004
   0.37500000 -0.25000000  0.00000000       0.004
   0.43750000 -0.25000000  0.00000000       0.004
   0.50000000 -0.25000000  0.00000000       0.004
  -0.43750000 -0.25000000  0.00000000       0.004
  -0.37500000 -0.25000000  0.00000000       0.004
  -0.31250000 -0.25000000  0.00000000       0.004
  -0.25000000 -0.25000000  0.00000000       0.004
  -0.18750000 -0.25000000  0.00000000       0.004
  -0.12500000 -0.25000000  0.00000000       0.004
  -0.06250000 -0.25000000  0.00000000       0.004
   0.00000000 -0.18750000  0.00000000       0.004
   0.06250000 -0.18750000  0.00000000       0.004
   0.12500000 -0.18750000  0.00000000       0.004
   0.18750000 -0.18750000  0.00000000       0.004
   0.25000000 -0.18750000  0.00000000       0.004
   0.31250000 -0.18750000  0.00000000       0.004
   0.37500000 -0.18750000 -0.00000000       0.004
   0.43750000 -0.18750000 -0.00000000       0.004
   0.50000000 -0.18750000  0.00000000       0.004
  -0.43750000 -0.18750000  0.00000000       0.004
  -0.37500000 -0.18750000  0.00000000       0.004
  -0.31250000 -0.18750000  0.00000000       0.004
  -0.25000000 -0.18750000  0.00000000       0.004
  -0.18750000 -0.18750000  0.00000000       0.004
  -0.12500000 -0.18750000  0.00000000       0.004
  -0.06250000 -0.18750000  0.00000000       0.004
   0.00000000 -0.12500000  0.00000000       0.004
   0.06250000 -0.12500000  0.00000000       0.004
   0.12500000 -0.12500000  0.00000000       0.004
   0.18750000 -0.12500000  0.00000000       0.004
   0.25000000 -0.12500000  0.00000000       0.004
   0.31250000 -0.12500000  0.00000000       0.004
   0.37500000 -0.12500000  0.00000000       0.004
   0.43750000 -0.12500000 -0.00000000       0.004
   0.50000000 -0.12500000 -0.00000000       0.004
  -0.43750000 -0.12500000  0.00000000       0.004
  -0.37500000 -0.12500000  0.00000000       0.004
  -0.31250000 -0.12500000  0.00000000       0.004
  -0.25000000 -0.12500000  0.00000000       0.004
  -0.18750000 -0.12500000  0.00000000       0.004
  -0.12500000 -0.12500000  0.00000000       0.004
  -0.06250000 -0.12500000  0.00000000       0.004
   0.00000000 -0.06250000  0.00000000       0.004
   0.06250000 -0.06250000  0.00000000       0.004
   0.12500000 -0.06250000  0.00000000       0.004
   0.18750000 -0.06250000  0.00000000       0.004
   0.25000000 -0.06250000 -0.00000000       0.004
   0.31250000 -0.06250000 -0.00000000       0.004
   0.37500000 -0.06250000  0.00000000       0.004
   0.43750000 -0.06250000 -0.00000000       0.004
   0.50000000 -0.06250000  0.00000000       0.004
  -0.43750000 -0.06250000  0.00000000       0.004
  -0.37500000 -0.06250000  0.00000000       0.004
  -0.31250000 -0.06250000  0.00000000       0.004
  -0.25000000 -0.06250000  0.00000000       0.004
  -0.18750000 -0.06250000  0.00000000       0.004
  -0.12500000 -0.06250000  0.00000000       0.004
  -0.06250000 -0.06250000  0.00000000       0.004
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.59402120
   0.66666667  0.33333333  0.63257356
   0.33333333  0.66666667  0.54818992
   0.66666667  0.33333333  0.45397341
   0.00000000  0.00000000  0.49342546
   0.33333333  0.66666667  0.42480646
 
 position of ions in cartesian coordinates  (Angst):
  -0.00000000  0.00000000 23.40573491
   1.97505781  1.14030016 24.92478209
  -0.00000000  2.28060032 21.59988207
   1.97505781  1.14030016 17.88754548
  -0.00000000  0.00000000 19.44204253
  -0.00000000  2.28060032 16.73830396
 
 Euler angles ALPHA=     0.0000000  BETA=     0.0000000

 transformation matrix from SAXIS to cartesian coordinates
 ---------------------------------------------------------
     1.0000000 m_x     0.0000000 m_y     0.0000000 m_z
     0.0000000 m_x     1.0000000 m_y     0.0000000 m_z
     0.0000000 m_x     0.0000000 m_y     1.0000000 m_z

 transformation matrix from cartesian coordinates to SAXIS
 ---------------------------------------------------------
     1.0000000 m_x     0.0000000 m_y     0.0000000 m_z
     0.0000000 m_x     1.0000000 m_y     0.0000000 m_z
     0.0000000 m_x     0.0000000 m_y     1.0000000 m_z




--------------------------------------------------------------------------------------------------------


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:   28890
 k-point  2 :   0.0625 0.0000-0.0000  plane waves:   28886
 k-point  3 :   0.1250 0.0000-0.0000  plane waves:   28810
 k-point  4 :   0.1875 0.0000-0.0000  plane waves:   28690
 k-point  5 :   0.2500 0.0000-0.0000  plane waves:   28706
 k-point  6 :   0.3125 0.0000-0.0000  plane waves:   28658
 k-point  7 :   0.3750 0.0000-0.0000  plane waves:   28640
 k-point  8 :   0.4375 0.0000-0.0000  plane waves:   28624
 k-point  9 :   0.5000 0.0000-0.0000  plane waves:   28592
 k-point 10 :  -0.4375 0.0000 0.0000  plane waves:   28624
 k-point 11 :  -0.3750-0.0000 0.0000  plane waves:   28640
 k-point 12 :  -0.3125-0.0000 0.0000  plane waves:   28658
 k-point 13 :  -0.2500 0.0000 0.0000  plane waves:   28706
 k-point 14 :  -0.1875-0.0000 0.0000  plane waves:   28690
 k-point 15 :  -0.1250 0.0000 0.0000  plane waves:   28810
 k-point 16 :  -0.0625 0.0000 0.0000  plane waves:   28886
 k-point 17 :  -0.0000 0.0625-0.0000  plane waves:   28886
 k-point 18 :   0.0625 0.0625-0.0000  plane waves:   28854
 k-point 19 :   0.1250 0.0625-0.0000  plane waves:   28764
 k-point 20 :   0.1875 0.0625-0.0000  plane waves:   28694
 k-point 21 :   0.2500 0.0625-0.0000  plane waves:   28690
 k-point 22 :   0.3125 0.0625 0.0000  plane waves:   28628
 k-point 23 :   0.3750 0.0625-0.0000  plane waves:   28624
 k-point 24 :   0.4375 0.0625-0.0000  plane waves:   28672
 k-point 25 :   0.5000 0.0625-0.0000  plane waves:   28672
 k-point 26 :  -0.4375 0.0625 0.0000  plane waves:   28624
 k-point 27 :  -0.3750 0.0625 0.0000  plane waves:   28628
 k-point 28 :  -0.3125 0.0625 0.0000  plane waves:   28690
 k-point 29 :  -0.2500 0.0625 0.0000  plane waves:   28694
 k-point 30 :  -0.1875 0.0625-0.0000  plane waves:   28764
 k-point 31 :  -0.1250 0.0625-0.0000  plane waves:   28854
 k-point 32 :  -0.0625 0.0625-0.0000  plane waves:   28886
 k-point 33 :  -0.0000 0.1250-0.0000  plane waves:   28810
 k-point 34 :   0.0625 0.1250-0.0000  plane waves:   28764
 k-point 35 :   0.1250 0.1250-0.0000  plane waves:   28686
 k-point 36 :   0.1875 0.1250-0.0000  plane waves:   28712
 k-point 37 :   0.2500 0.1250-0.0000  plane waves:   28700
 k-point 38 :   0.3125 0.1250-0.0000  plane waves:   28668
 k-point 39 :   0.3750 0.1250-0.0000  plane waves:   28646
 k-point 40 :   0.4375 0.1250-0.0000  plane waves:   28664
 k-point 41 :   0.5000 0.1250-0.0000  plane waves:   28646
 k-point 42 :  -0.4375 0.1250 0.0000  plane waves:   28668
 k-point 43 :  -0.3750 0.1250-0.0000  plane waves:   28700
 k-point 44 :  -0.3125 0.1250-0.0000  plane waves:   28712
 k-point 45 :  -0.2500 0.1250-0.0000  plane waves:   28686
 k-point 46 :  -0.1875 0.1250-0.0000  plane waves:   28764
 k-point 47 :  -0.1250 0.1250-0.0000  plane waves:   28810
 k-point 48 :  -0.0625 0.1250 0.0000  plane waves:   28854
 k-point 49 :   0.0000 0.1875-0.0000  plane waves:   28690
 k-point 50 :   0.0625 0.1875 0.0000  plane waves:   28694
 k-point 51 :   0.1250 0.1875-0.0000  plane waves:   28712
 k-point 52 :   0.1875 0.1875-0.0000  plane waves:   28750
 k-point 53 :   0.2500 0.1875-0.0000  plane waves:   28700
 k-point 54 :   0.3125 0.1875-0.0000  plane waves:   28636
 k-point 55 :   0.3750 0.1875-0.0000  plane waves:   28628
 k-point 56 :   0.4375 0.1875-0.0000  plane waves:   28628
 k-point 57 :   0.5000 0.1875 0.0000  plane waves:   28636
 k-point 58 :  -0.4375 0.1875 0.0000  plane waves:   28700
 k-point 59 :  -0.3750 0.1875 0.0000  plane waves:   28750
 k-point 60 :  -0.3125 0.1875-0.0000  plane waves:   28712
 k-point 61 :  -0.2500 0.1875-0.0000  plane waves:   28694
 k-point 62 :  -0.1875 0.1875 0.0000  plane waves:   28690
 k-point 63 :  -0.1250 0.1875 0.0000  plane waves:   28764
 k-point 64 :  -0.0625 0.1875-0.0000  plane waves:   28764
 k-point 65 :  -0.0000 0.2500-0.0000  plane waves:   28706
 k-point 66 :   0.0625 0.2500-0.0000  plane waves:   28690
 k-point 67 :   0.1250 0.2500-0.0000  plane waves:   28700
 k-point 68 :   0.1875 0.2500-0.0000  plane waves:   28700
 k-point 69 :   0.2500 0.2500-0.0000  plane waves:   28638
 k-point 70 :   0.3125 0.2500-0.0000  plane waves:   28564
 k-point 71 :   0.3750 0.2500-0.0000  plane waves:   28564
 k-point 72 :   0.4375 0.2500-0.0000  plane waves:   28564
 k-point 73 :   0.5000 0.2500-0.0000  plane waves:   28638
 k-point 74 :  -0.4375 0.2500-0.0000  plane waves:   28700
 k-point 75 :  -0.3750 0.2500-0.0000  plane waves:   28700
 k-point 76 :  -0.3125 0.2500 0.0000  plane waves:   28690
 k-point 77 :  -0.2500 0.2500-0.0000  plane waves:   28706
 k-point 78 :  -0.1875 0.2500-0.0000  plane waves:   28694
 k-point 79 :  -0.1250 0.2500 0.0000  plane waves:   28686
 k-point 80 :  -0.0625 0.2500-0.0000  plane waves:   28694
 k-point 81 :  -0.0000 0.3125-0.0000  plane waves:   28658
 k-point 82 :   0.0625 0.3125-0.0000  plane waves:   28628
 k-point 83 :   0.1250 0.3125-0.0000  plane waves:   28668
 k-point 84 :   0.1875 0.3125-0.0000  plane waves:   28636
 k-point 85 :   0.2500 0.3125-0.0000  plane waves:   28564
 k-point 86 :   0.3125 0.3125-0.0000  plane waves:   28630
 k-point 87 :   0.3750 0.3125-0.0000  plane waves:   28630
 k-point 88 :   0.4375 0.3125-0.0000  plane waves:   28564
 k-point 89 :   0.5000 0.3125-0.0000  plane waves:   28636
 k-point 90 :  -0.4375 0.3125-0.0000  plane waves:   28668
 k-point 91 :  -0.3750 0.3125 0.0000  plane waves:   28628
 k-point 92 :  -0.3125 0.3125 0.0000  plane waves:   28658
 k-point 93 :  -0.2500 0.3125 0.0000  plane waves:   28690
 k-point 94 :  -0.1875 0.3125-0.0000  plane waves:   28712
 k-point 95 :  -0.1250 0.3125-0.0000  plane waves:   28712
 k-point 96 :  -0.0625 0.3125-0.0000  plane waves:   28690
 k-point 97 :   0.0000 0.3750-0.0000  plane waves:   28640
 k-point 98 :   0.0625 0.3750 0.0000  plane waves:   28624
 k-point 99 :   0.1250 0.3750 0.0000  plane waves:   28646
 k-point ** :   0.1875 0.3750-0.0000  plane waves:   28628
 k-point ** :   0.2500 0.3750-0.0000  plane waves:   28564
 k-point ** :   0.3125 0.3750-0.0000  plane waves:   28630
 k-point ** :   0.3750 0.3750-0.0000  plane waves:   28564
 k-point ** :   0.4375 0.3750-0.0000  plane waves:   28628
 k-point ** :   0.5000 0.3750-0.0000  plane waves:   28646
 k-point ** :  -0.4375 0.3750-0.0000  plane waves:   28624
 k-point ** :  -0.3750 0.3750 0.0000  plane waves:   28640
 k-point ** :  -0.3125 0.3750-0.0000  plane waves:   28628
 k-point ** :  -0.2500 0.3750 0.0000  plane waves:   28700
 k-point ** :  -0.1875 0.3750-0.0000  plane waves:   28750
 k-point ** :  -0.1250 0.3750-0.0000  plane waves:   28700
 k-point ** :  -0.0625 0.3750-0.0000  plane waves:   28628
 k-point ** :   0.0000 0.4375-0.0000  plane waves:   28624
 k-point ** :   0.0625 0.4375 0.0000  plane waves:   28672
 k-point ** :   0.1250 0.4375-0.0000  plane waves:   28664
 k-point ** :   0.1875 0.4375 0.0000  plane waves:   28628
 k-point ** :   0.2500 0.4375-0.0000  plane waves:   28564
 k-point ** :   0.3125 0.4375-0.0000  plane waves:   28564
 k-point ** :   0.3750 0.4375-0.0000  plane waves:   28628
 k-point ** :   0.4375 0.4375-0.0000  plane waves:   28664
 k-point ** :   0.5000 0.4375 0.0000  plane waves:   28672
 k-point ** :  -0.4375 0.4375-0.0000  plane waves:   28624
 k-point ** :  -0.3750 0.4375-0.0000  plane waves:   28624
 k-point ** :  -0.3125 0.4375-0.0000  plane waves:   28668
 k-point ** :  -0.2500 0.4375-0.0000  plane waves:   28700
 k-point ** :  -0.1875 0.4375-0.0000  plane waves:   28700
 k-point ** :  -0.1250 0.4375-0.0000  plane waves:   28668
 k-point ** :  -0.0625 0.4375-0.0000  plane waves:   28624
 k-point ** :  -0.0000 0.5000-0.0000  plane waves:   28592
 k-point ** :   0.0625 0.5000-0.0000  plane waves:   28672
 k-point ** :   0.1250 0.5000-0.0000  plane waves:   28646
 k-point ** :   0.1875 0.5000-0.0000  plane waves:   28636
 k-point ** :   0.2500 0.5000-0.0000  plane waves:   28638
 k-point ** :   0.3125 0.5000-0.0000  plane waves:   28636
 k-point ** :   0.3750 0.5000-0.0000  plane waves:   28646
 k-point ** :   0.4375 0.5000-0.0000  plane waves:   28672
 k-point ** :   0.5000 0.5000-0.0000  plane waves:   28592
 k-point ** :  -0.4375 0.5000-0.0000  plane waves:   28672
 k-point ** :  -0.3750 0.5000-0.0000  plane waves:   28646
 k-point ** :  -0.3125 0.5000-0.0000  plane waves:   28636
 k-point ** :  -0.2500 0.5000 0.0000  plane waves:   28638
 k-point ** :  -0.1875 0.5000-0.0000  plane waves:   28636
 k-point ** :  -0.1250 0.5000-0.0000  plane waves:   28646
 k-point ** :  -0.0625 0.5000-0.0000  plane waves:   28672
 k-point ** :   0.0000-0.4375 0.0000  plane waves:   28624
 k-point ** :   0.0625-0.4375 0.0000  plane waves:   28624
 k-point ** :   0.1250-0.4375 0.0000  plane waves:   28668
 k-point ** :   0.1875-0.4375 0.0000  plane waves:   28700
 k-point ** :   0.2500-0.4375 0.0000  plane waves:   28700
 k-point ** :   0.3125-0.4375 0.0000  plane waves:   28668
 k-point ** :   0.3750-0.4375 0.0000  plane waves:   28624
 k-point ** :   0.4375-0.4375 0.0000  plane waves:   28624
 k-point ** :   0.5000-0.4375 0.0000  plane waves:   28672
 k-point ** :  -0.4375-0.4375 0.0000  plane waves:   28664
 k-point ** :  -0.3750-0.4375 0.0000  plane waves:   28628
 k-point ** :  -0.3125-0.4375 0.0000  plane waves:   28564
 k-point ** :  -0.2500-0.4375 0.0000  plane waves:   28564
 k-point ** :  -0.1875-0.4375 0.0000  plane waves:   28628
 k-point ** :  -0.1250-0.4375 0.0000  plane waves:   28664
 k-point ** :  -0.0625-0.4375 0.0000  plane waves:   28672
 k-point ** :   0.0000-0.3750 0.0000  plane waves:   28640
 k-point ** :   0.0625-0.3750 0.0000  plane waves:   28628
 k-point ** :   0.1250-0.3750 0.0000  plane waves:   28700
 k-point ** :   0.1875-0.3750 0.0000  plane waves:   28750
 k-point ** :   0.2500-0.3750 0.0000  plane waves:   28700
 k-point ** :   0.3125-0.3750 0.0000  plane waves:   28628
 k-point ** :   0.3750-0.3750 0.0000  plane waves:   28640
 k-point ** :   0.4375-0.3750 0.0000  plane waves:   28624
 k-point ** :   0.5000-0.3750 0.0000  plane waves:   28646
 k-point ** :  -0.4375-0.3750 0.0000  plane waves:   28628
 k-point ** :  -0.3750-0.3750 0.0000  plane waves:   28564
 k-point ** :  -0.3125-0.3750 0.0000  plane waves:   28630
 k-point ** :  -0.2500-0.3750 0.0000  plane waves:   28564
 k-point ** :  -0.1875-0.3750 0.0000  plane waves:   28628
 k-point ** :  -0.1250-0.3750 0.0000  plane waves:   28646
 k-point ** :  -0.0625-0.3750 0.0000  plane waves:   28624
 k-point ** :   0.0000-0.3125 0.0000  plane waves:   28658
 k-point ** :   0.0625-0.3125 0.0000  plane waves:   28690
 k-point ** :   0.1250-0.3125 0.0000  plane waves:   28712
 k-point ** :   0.1875-0.3125 0.0000  plane waves:   28712
 k-point ** :   0.2500-0.3125 0.0000  plane waves:   28690
 k-point ** :   0.3125-0.3125 0.0000  plane waves:   28658
 k-point ** :   0.3750-0.3125 0.0000  plane waves:   28628
 k-point ** :   0.4375-0.3125 0.0000  plane waves:   28668
 k-point ** :   0.5000-0.3125 0.0000  plane waves:   28636
 k-point ** :  -0.4375-0.3125 0.0000  plane waves:   28564
 k-point ** :  -0.3750-0.3125 0.0000  plane waves:   28630
 k-point ** :  -0.3125-0.3125 0.0000  plane waves:   28630
 k-point ** :  -0.2500-0.3125 0.0000  plane waves:   28564
 k-point ** :  -0.1875-0.3125 0.0000  plane waves:   28636
 k-point ** :  -0.1250-0.3125 0.0000  plane waves:   28668
 k-point ** :  -0.0625-0.3125 0.0000  plane waves:   28628
 k-point ** :   0.0000-0.2500 0.0000  plane waves:   28706
 k-point ** :   0.0625-0.2500 0.0000  plane waves:   28694
 k-point ** :   0.1250-0.2500 0.0000  plane waves:   28686
 k-point ** :   0.1875-0.2500 0.0000  plane waves:   28694
 k-point ** :   0.2500-0.2500 0.0000  plane waves:   28706
 k-point ** :   0.3125-0.2500 0.0000  plane waves:   28690
 k-point ** :   0.3750-0.2500 0.0000  plane waves:   28700
 k-point ** :   0.4375-0.2500 0.0000  plane waves:   28700
 k-point ** :   0.5000-0.2500 0.0000  plane waves:   28638
 k-point ** :  -0.4375-0.2500 0.0000  plane waves:   28564
 k-point ** :  -0.3750-0.2500 0.0000  plane waves:   28564
 k-point ** :  -0.3125-0.2500 0.0000  plane waves:   28564
 k-point ** :  -0.2500-0.2500 0.0000  plane waves:   28638
 k-point ** :  -0.1875-0.2500 0.0000  plane waves:   28700
 k-point ** :  -0.1250-0.2500 0.0000  plane waves:   28700
 k-point ** :  -0.0625-0.2500 0.0000  plane waves:   28690
 k-point ** :   0.0000-0.1875 0.0000  plane waves:   28690
 k-point ** :   0.0625-0.1875 0.0000  plane waves:   28764
 k-point ** :   0.1250-0.1875 0.0000  plane waves:   28764
 k-point ** :   0.1875-0.1875 0.0000  plane waves:   28690
 k-point ** :   0.2500-0.1875 0.0000  plane waves:   28694
 k-point ** :   0.3125-0.1875 0.0000  plane waves:   28712
 k-point ** :   0.3750-0.1875-0.0000  plane waves:   28750
 k-point ** :   0.4375-0.1875-0.0000  plane waves:   28700
 k-point ** :   0.5000-0.1875 0.0000  plane waves:   28636
 k-point ** :  -0.4375-0.1875 0.0000  plane waves:   28628
 k-point ** :  -0.3750-0.1875 0.0000  plane waves:   28628
 k-point ** :  -0.3125-0.1875 0.0000  plane waves:   28636
 k-point ** :  -0.2500-0.1875 0.0000  plane waves:   28700
 k-point ** :  -0.1875-0.1875 0.0000  plane waves:   28750
 k-point ** :  -0.1250-0.1875 0.0000  plane waves:   28712
 k-point ** :  -0.0625-0.1875 0.0000  plane waves:   28694
 k-point ** :   0.0000-0.1250 0.0000  plane waves:   28810
 k-point ** :   0.0625-0.1250 0.0000  plane waves:   28854
 k-point ** :   0.1250-0.1250 0.0000  plane waves:   28810
 k-point ** :   0.1875-0.1250 0.0000  plane waves:   28764
 k-point ** :   0.2500-0.1250 0.0000  plane waves:   28686
 k-point ** :   0.3125-0.1250 0.0000  plane waves:   28712
 k-point ** :   0.3750-0.1250 0.0000  plane waves:   28700
 k-point ** :   0.4375-0.1250-0.0000  plane waves:   28668
 k-point ** :   0.5000-0.1250-0.0000  plane waves:   28646
 k-point ** :  -0.4375-0.1250 0.0000  plane waves:   28664
 k-point ** :  -0.3750-0.1250 0.0000  plane waves:   28646
 k-point ** :  -0.3125-0.1250 0.0000  plane waves:   28668
 k-point ** :  -0.2500-0.1250 0.0000  plane waves:   28700
 k-point ** :  -0.1875-0.1250 0.0000  plane waves:   28712
 k-point ** :  -0.1250-0.1250 0.0000  plane waves:   28686
 k-point ** :  -0.0625-0.1250 0.0000  plane waves:   28764
 k-point ** :   0.0000-0.0625 0.0000  plane waves:   28886
 k-point ** :   0.0625-0.0625 0.0000  plane waves:   28886
 k-point ** :   0.1250-0.0625 0.0000  plane waves:   28854
 k-point ** :   0.1875-0.0625 0.0000  plane waves:   28764
 k-point ** :   0.2500-0.0625-0.0000  plane waves:   28694
 k-point ** :   0.3125-0.0625-0.0000  plane waves:   28690
 k-point ** :   0.3750-0.0625 0.0000  plane waves:   28628
 k-point ** :   0.4375-0.0625-0.0000  plane waves:   28624
 k-point ** :   0.5000-0.0625 0.0000  plane waves:   28672
 k-point ** :  -0.4375-0.0625 0.0000  plane waves:   28672
 k-point ** :  -0.3750-0.0625 0.0000  plane waves:   28624
 k-point ** :  -0.3125-0.0625 0.0000  plane waves:   28628
 k-point ** :  -0.2500-0.0625 0.0000  plane waves:   28690
 k-point ** :  -0.1875-0.0625 0.0000  plane waves:   28694
 k-point ** :  -0.1250-0.0625 0.0000  plane waves:   28764
 k-point ** :  -0.0625-0.0625 0.0000  plane waves:   28854

 maximum and minimum number of plane-waves per node :     28890    28564

 maximum number of plane-waves:     28890
 maximum index in each direction: 
   IXMAX=    7   IYMAX=    7   IZMAX=   73
   IXMIN=   -7   IYMIN=   -7   IZMIN=  -73


 serial   3D FFT for wavefunctions
 parallel 3D FFT for charge:
    minimum data exchange during FFTs selected (reduces bandwidth)


 total amount of memory used by VASP MPI-rank0  3365262. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :    2131831. kBytes
   fftplans  :      20710. kBytes
   grid      :     110638. kBytes
   one-center:        373. kBytes
   wavefun   :    1071710. kBytes
 
     INWAV:  cpu time    0.0000: real time    0.0000
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 15   NGY = 15   NGZ =147
  (NGX  = 60   NGY  = 60   NGZ  =588)
  gives a total of  33075 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      51.0000000 magnetization       6.0000000      6.0000000      6.0000000
 keeping initial charge density in first step


--------------------------------------------------------------------------------------------------------


 Maximum index for augmentation-charges         4042 (set IRDMAX)


--------------------------------------------------------------------------------------------------------


 First call to EWALD:  gamma=   0.219
 Maximum number of real-space cells 6x 6x 1
 Maximum number of reciprocal cells 2x 2x11

    FEWALD:  cpu time    0.0027: real time    0.0027


--------------------------------------- Iteration      1(   1)  ---------------------------------------


    POTLOK:  cpu time    1.0153: real time    1.0162
    SETDIJ:  cpu time    0.4049: real time    0.4051
     EDDAV:  cpu time  107.3278: real time  107.4124
       DOS:  cpu time    0.0019: real time    0.0020
    --------------------------------------------
      LOOP:  cpu time  108.7499: real time  108.8357

 eigenvalue-minimisations  : 42344
 total energy-change (2. order) : 0.4482939E+03  (-0.2086086E+04)
 number of electron      51.0000000 magnetization       6.0000000      6.0000000      6.0000000
 augmentation part       51.0000000 magnetization       6.0000000      6.0000000      6.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32232.12311174
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.86170438
  PAW double counting   =      3455.30026685    -3438.09825528
  entropy T*S    EENTRO =        -0.00453048
  eigenvalues    EBANDS =      -401.83974321
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       448.29390243 eV

  energy without entropy =      448.29843291  energy(sigma->0) =      448.29616767


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   2)  ---------------------------------------


     EDDAV:  cpu time  113.8514: real time  113.9426
       DOS:  cpu time    0.0016: real time    0.0016
    --------------------------------------------
      LOOP:  cpu time  113.8530: real time  113.9442

 eigenvalue-minimisations  : 46288
 total energy-change (2. order) :-0.4104042E+03  (-0.3965049E+03)
 number of electron      51.0000000 magnetization       6.0000000      6.0000000      6.0000000
 augmentation part       51.0000000 magnetization       6.0000000      6.0000000      6.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32232.12311174
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.86170438
  PAW double counting   =      3455.30026685    -3438.09825528
  entropy T*S    EENTRO =        -0.00265707
  eigenvalues    EBANDS =      -812.24586136
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        37.88965769 eV

  energy without entropy =       37.89231476  energy(sigma->0) =       37.89098622


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   3)  ---------------------------------------


     EDDAV:  cpu time  123.0334: real time  123.1297
       DOS:  cpu time    0.0015: real time    0.0015
    --------------------------------------------
      LOOP:  cpu time  123.0349: real time  123.1312

 eigenvalue-minimisations  : 51816
 total energy-change (2. order) :-0.6391834E+02  (-0.6319687E+02)
 number of electron      51.0000000 magnetization       6.0000000      6.0000000      6.0000000
 augmentation part       51.0000000 magnetization       6.0000000      6.0000000      6.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32232.12311174
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.86170438
  PAW double counting   =      3455.30026685    -3438.09825528
  entropy T*S    EENTRO =        -0.00260730
  eigenvalues    EBANDS =      -876.16425268
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.02868386 eV

  energy without entropy =      -26.02607656  energy(sigma->0) =      -26.02738021


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   4)  ---------------------------------------


     EDDAV:  cpu time  121.7951: real time  121.9081
       DOS:  cpu time    0.0016: real time    0.0016
    --------------------------------------------
      LOOP:  cpu time  121.7967: real time  121.9096

 eigenvalue-minimisations  : 48872
 total energy-change (2. order) :-0.2684621E+01  (-0.2655661E+01)
 number of electron      51.0000000 magnetization       6.0000000      6.0000000      6.0000000
 augmentation part       51.0000000 magnetization       6.0000000      6.0000000      6.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32232.12311174
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.86170438
  PAW double counting   =      3455.30026685    -3438.09825528
  entropy T*S    EENTRO =        -0.00304852
  eigenvalues    EBANDS =      -878.84843259
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -28.71330499 eV

  energy without entropy =      -28.71025647  energy(sigma->0) =      -28.71178073


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   5)  ---------------------------------------


     EDDAV:  cpu time  152.5543: real time  152.6728
       DOS:  cpu time    0.0015: real time    0.0015
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        1.145   0.741  10.027  11.913
    2        1.496   2.309   0.024   3.829
    3        1.476   2.482   0.023   3.981
    4        1.345   3.256   0.000   4.601
    5        2.013   5.716   0.217   7.947
    6        2.002   5.700   0.151   7.852
--------------------------------------------------
tot          9.476  20.205  10.441  40.122
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.077  -0.009   0.001   0.069
    2        0.010   0.141   0.001   0.151
    3        0.013   0.089   0.005   0.106
    4        0.016   0.098   0.000   0.114
    5        0.002   0.008   0.019   0.028
    6        0.002   0.008   0.002   0.013
--------------------------------------------------
tot          0.120   0.334   0.027   0.481
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.077  -0.009   0.001   0.069
    2        0.010   0.141   0.001   0.151
    3        0.013   0.089   0.005   0.106
    4        0.016   0.098   0.000   0.114
    5        0.002   0.008   0.019   0.028
    6        0.002   0.008   0.002   0.013
--------------------------------------------------
tot          0.120   0.334   0.027   0.481
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.077  -0.009   0.001   0.069
    2        0.010   0.140   0.001   0.151
    3        0.013   0.089   0.005   0.106
    4        0.016   0.098   0.000   0.114
    5        0.002   0.008   0.019   0.028
    6        0.002   0.008   0.002   0.013
--------------------------------------------------
tot          0.120   0.334   0.027   0.481
 
    CHARGE:  cpu time   11.3058: real time   11.3145
    MIXING:  cpu time    0.0629: real time    0.0629
    --------------------------------------------
      LOOP:  cpu time  163.9245: real time  164.0518

 eigenvalue-minimisations  : 69552
 total energy-change (2. order) :-0.2808860E+00  (-0.2805146E+00)
 number of electron      51.0000005 magnetization       3.8316281      3.8316312      3.8314331
 augmentation part        6.6426167 magnetization       3.1914093      3.1913489      3.1917975

 Broyden mixing:
  rms(total) = 0.37356E+01    rms(broyden)= 0.37355E+01
  rms(prec ) = 0.37554E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32232.12311174
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.86170438
  PAW double counting   =      3455.30026685    -3438.09825528
  entropy T*S    EENTRO =        -0.00300883
  eigenvalues    EBANDS =      -879.12935825
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -28.99419097 eV

  energy without entropy =      -28.99118214  energy(sigma->0) =      -28.99268655


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   6)  ---------------------------------------


    POTLOK:  cpu time    0.9897: real time    0.9969
    SETDIJ:  cpu time    0.4066: real time    0.4068
     EDDAV:  cpu time  119.8460: real time  119.9386
       DOS:  cpu time    0.0014: real time    0.0014
    CHARGE:  cpu time   11.3045: real time   11.3129
    MIXING:  cpu time    0.0676: real time    0.0676
    --------------------------------------------
      LOOP:  cpu time  132.6158: real time  132.7242

 eigenvalue-minimisations  : 49728
 total energy-change (2. order) :-0.1152429E+01  (-0.5087445E-01)
 number of electron      51.0000005 magnetization      -0.3817584     -0.3817555     -0.3824222
 augmentation part        6.6044065 magnetization      -0.8661207     -0.8661576     -0.8660542

 Broyden mixing:
  rms(total) = 0.33401E+01    rms(broyden)= 0.33401E+01
  rms(prec ) = 0.33584E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5665
  2.5665

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32240.96362867
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.04482483
  PAW double counting   =      3490.90558358    -3473.95670736
  entropy T*S    EENTRO =        -0.00318964
  eigenvalues    EBANDS =      -870.37107434
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -30.14661970 eV

  energy without entropy =      -30.14343006  energy(sigma->0) =      -30.14502488


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   7)  ---------------------------------------


    POTLOK:  cpu time    0.9782: real time    0.9850
    SETDIJ:  cpu time    0.3838: real time    0.3839
     EDDAV:  cpu time  114.8849: real time  114.9894
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.3318: real time   11.3420
    MIXING:  cpu time    0.0665: real time    0.0665
    --------------------------------------------
      LOOP:  cpu time  127.6468: real time  127.7684

 eigenvalue-minimisations  : 46296
 total energy-change (2. order) : 0.8640768E+00  (-0.1270709E+00)
 number of electron      51.0000005 magnetization      -0.0147407     -0.0146850     -0.0156187
 augmentation part        6.5506829 magnetization      -0.0755814     -0.0753295     -0.0763214

 Broyden mixing:
  rms(total) = 0.30547E+01    rms(broyden)= 0.30547E+01
  rms(prec ) = 0.30672E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5266
  2.5976  0.4556

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32266.09781743
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       145.69715498
  PAW double counting   =      3598.06509841    -3581.77805420
  entropy T*S    EENTRO =        -0.00365673
  eigenvalues    EBANDS =      -843.36283987
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -29.28254294 eV

  energy without entropy =      -29.27888621  energy(sigma->0) =      -29.28071457


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   8)  ---------------------------------------


    POTLOK:  cpu time    0.9937: real time    0.9966
    SETDIJ:  cpu time    0.3883: real time    0.3885
     EDDAV:  cpu time  113.3789: real time  113.4812
       DOS:  cpu time    0.0033: real time    0.0033
    CHARGE:  cpu time   11.3903: real time   11.4009
    MIXING:  cpu time    0.0666: real time    0.0666
    --------------------------------------------
      LOOP:  cpu time  126.2211: real time  126.3371

 eigenvalue-minimisations  : 45512
 total energy-change (2. order) :-0.1115525E+01  (-0.3841427E-01)
 number of electron      51.0000005 magnetization      -0.3891696     -0.3902123     -0.3936785
 augmentation part        6.5665799 magnetization      -0.5654269     -0.5666730     -0.5717502

 Broyden mixing:
  rms(total) = 0.30961E+01    rms(broyden)= 0.30961E+01
  rms(prec ) = 0.31118E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4590
  1.1358  3.5754  2.6658

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32253.16505872
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       145.56303356
  PAW double counting   =      3530.41095446    -3513.74767164
  entropy T*S    EENTRO =        -0.00412162
  eigenvalues    EBANDS =      -857.65277551
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -30.39806758 eV

  energy without entropy =      -30.39394596  energy(sigma->0) =      -30.39600677


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   9)  ---------------------------------------


    POTLOK:  cpu time    1.0103: real time    1.0115
    SETDIJ:  cpu time    0.3689: real time    0.3690
     EDDAV:  cpu time  118.1566: real time  118.2633
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.3235: real time   11.3337
    MIXING:  cpu time    0.0683: real time    0.0684
    --------------------------------------------
      LOOP:  cpu time  130.9290: real time  131.0474

 eigenvalue-minimisations  : 48512
 total energy-change (2. order) : 0.3989750E+01  (-0.1045062E+01)
 number of electron      51.0000005 magnetization      -0.2140751     -0.2158186     -0.2175463
 augmentation part        6.4305589 magnetization      -0.0781896     -0.0780475     -0.0831848

 Broyden mixing:
  rms(total) = 0.28853E+01    rms(broyden)= 0.28852E+01
  rms(prec ) = 0.28877E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4075
  4.6273  2.3100  1.8446  0.8480

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32332.56739479
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.50060123
  PAW double counting   =      4019.63767150    -4005.46483533
  entropy T*S    EENTRO =        -0.00353109
  eigenvalues    EBANDS =      -772.70840086
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.40831745 eV

  energy without entropy =      -26.40478636  energy(sigma->0) =      -26.40655190


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  10)  ---------------------------------------


    POTLOK:  cpu time    0.9914: real time    0.9931
    SETDIJ:  cpu time    0.3877: real time    0.3878
     EDDAV:  cpu time  115.9961: real time  116.1003
       DOS:  cpu time    0.0015: real time    0.0015
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        1.210   0.827  10.044  12.080
    2        1.491   2.369   0.026   3.886
    3        1.467   2.415   0.020   3.902
    4        1.263   2.358   0.000   3.621
    5        2.015   5.752   0.207   7.975
    6        2.036   5.742   0.299   8.078
--------------------------------------------------
tot          9.484  19.463  10.596  39.542
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.006  -0.002  -0.000  -0.008
    2        0.001  -0.004   0.000  -0.002
    3        0.002   0.002  -0.000   0.003
    4        0.000   0.005   0.000   0.005
    5       -0.000  -0.000  -0.001  -0.001
    6       -0.000  -0.000  -0.001  -0.002
--------------------------------------------------
tot         -0.004   0.001  -0.003  -0.005
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.006  -0.002  -0.000  -0.009
    2        0.001  -0.004   0.000  -0.002
    3        0.002   0.002  -0.000   0.003
    4        0.000   0.005   0.000   0.005
    5       -0.000  -0.000  -0.001  -0.001
    6       -0.000  -0.000  -0.001  -0.002
--------------------------------------------------
tot         -0.004   0.001  -0.003  -0.005
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.006  -0.002  -0.000  -0.008
    2        0.001  -0.003   0.000  -0.002
    3        0.002   0.002  -0.000   0.003
    4        0.001   0.005   0.000   0.006
    5        0.000   0.000  -0.001  -0.001
    6       -0.000  -0.000  -0.001  -0.002
--------------------------------------------------
tot         -0.003   0.001  -0.003  -0.005
 
    CHARGE:  cpu time   11.3601: real time   11.3701
    MIXING:  cpu time    0.0690: real time    0.0690
    --------------------------------------------
      LOOP:  cpu time  128.8057: real time  128.9219

 eigenvalue-minimisations  : 47008
 total energy-change (2. order) :-0.2361469E+00  (-0.2301024E+00)
 number of electron      51.0000005 magnetization       0.7401269      0.7380204      0.7370786
 augmentation part        6.3469350 magnetization       0.7841597      0.7824781      0.7803052

 Broyden mixing:
  rms(total) = 0.27257E+01    rms(broyden)= 0.27257E+01
  rms(prec ) = 0.27271E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   5.6131
 19.6024  3.9775  2.5280  0.9787  0.9787

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32316.91174137
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.34852088
  PAW double counting   =      4017.30666706    -4003.05675039
  entropy T*S    EENTRO =        -0.00353543
  eigenvalues    EBANDS =      -788.52519700
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.64446435 eV

  energy without entropy =      -26.64092892  energy(sigma->0) =      -26.64269663


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  11)  ---------------------------------------


    POTLOK:  cpu time    0.9928: real time    0.9960
    SETDIJ:  cpu time    0.3878: real time    0.3880
     EDDAV:  cpu time  123.6728: real time  123.7894
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.2860: real time   11.2953
    MIXING:  cpu time    0.0761: real time    0.0761
    --------------------------------------------
      LOOP:  cpu time  136.4169: real time  136.5463

 eigenvalue-minimisations  : 49984
 total energy-change (2. order) : 0.1284971E+00  (-0.1515399E+00)
 number of electron      51.0000005 magnetization       1.6922685      1.6926519      1.6916576
 augmentation part        6.2173459 magnetization       1.4479206      1.4469665      1.4457523

 Broyden mixing:
  rms(total) = 0.21278E+01    rms(broyden)= 0.21278E+01
  rms(prec ) = 0.21308E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.1622
 27.2346  4.2456  2.4917  0.8923  1.0545  1.0545

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32327.67339102
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.71030170
  PAW double counting   =      4467.76089611    -4455.25319440
  entropy T*S    EENTRO =        -0.00249281
  eigenvalues    EBANDS =      -776.25565871
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.51596723 eV

  energy without entropy =      -26.51347442  energy(sigma->0) =      -26.51472082


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  12)  ---------------------------------------


    POTLOK:  cpu time    1.0041: real time    1.0070
    SETDIJ:  cpu time    0.4047: real time    0.4048
     EDDAV:  cpu time  117.3850: real time  117.4860
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.3279: real time   11.3370
    MIXING:  cpu time    0.0735: real time    0.0736
    --------------------------------------------
      LOOP:  cpu time  130.1968: real time  130.3099

 eigenvalue-minimisations  : 48368
 total energy-change (2. order) :-0.2012164E+00  (-0.2244864E+00)
 number of electron      51.0000004 magnetization       1.3818687      1.3856580      1.3903501
 augmentation part        6.0570025 magnetization       0.6889329      0.6896174      0.6849603

 Broyden mixing:
  rms(total) = 0.14791E+01    rms(broyden)= 0.14791E+01
  rms(prec ) = 0.15024E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   5.9040
 28.7713  5.2103  2.3230  1.8512  1.4147  0.8787  0.8787

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.09123652
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       147.16905237
  PAW double counting   =      5134.75412076    -5124.46686771
  entropy T*S    EENTRO =        -0.00756019
  eigenvalues    EBANDS =      -769.27226425
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.71718365 eV

  energy without entropy =      -26.70962346  energy(sigma->0) =      -26.71340355


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  13)  ---------------------------------------


    POTLOK:  cpu time    0.9990: real time    1.0067
    SETDIJ:  cpu time    0.4135: real time    0.4137
     EDDAV:  cpu time  120.2494: real time  120.3489
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.3230: real time   11.3323
    MIXING:  cpu time    0.0746: real time    0.0747
    --------------------------------------------
      LOOP:  cpu time  133.0610: real time  133.1778

 eigenvalue-minimisations  : 50072
 total energy-change (2. order) : 0.2945442E+00  (-0.5307153E+00)
 number of electron      51.0000005 magnetization       0.5920528      0.5992630      0.6012145
 augmentation part        6.2964499 magnetization       0.3555304      0.3589421      0.3665749

 Broyden mixing:
  rms(total) = 0.12219E+01    rms(broyden)= 0.12218E+01
  rms(prec ) = 0.12318E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   8.2278
 47.9763  8.7975  3.0439  2.4787  1.0786  0.8622  0.7925  0.7925

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32324.14351942
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.84641046
  PAW double counting   =      5237.18350272    -5227.23889039
  entropy T*S    EENTRO =        -0.00348757
  eigenvalues    EBANDS =      -777.26422713
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.42263943 eV

  energy without entropy =      -26.41915187  energy(sigma->0) =      -26.42089565


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  14)  ---------------------------------------


    POTLOK:  cpu time    0.9962: real time    1.0008
    SETDIJ:  cpu time    0.4053: real time    0.4054
     EDDAV:  cpu time  113.1692: real time  113.2671
       DOS:  cpu time    0.0032: real time    0.0032
    CHARGE:  cpu time   11.2955: real time   11.3049
    MIXING:  cpu time    0.0761: real time    0.0762
    --------------------------------------------
      LOOP:  cpu time  125.9454: real time  126.0577

 eigenvalue-minimisations  : 45896
 total energy-change (2. order) :-0.4630534E+00  (-0.4653833E-01)
 number of electron      51.0000005 magnetization       0.1411136      0.1447026      0.1427810
 augmentation part        6.3160487 magnetization      -0.0032085     -0.0021338     -0.0005819

 Broyden mixing:
  rms(total) = 0.61063E+00    rms(broyden)= 0.61063E+00
  rms(prec ) = 0.64833E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   7.4235
 46.1945  9.8502  3.0711  2.5432  1.1963  1.1963  1.0488  0.8558  0.8558

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.14276009
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.94110795
  PAW double counting   =      5919.99075546    -5912.06379938
  entropy T*S    EENTRO =        -0.00205766
  eigenvalues    EBANDS =      -766.80651106
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.88569288 eV

  energy without entropy =      -26.88363523  energy(sigma->0) =      -26.88466405


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  15)  ---------------------------------------


    POTLOK:  cpu time    1.0021: real time    1.0077
    SETDIJ:  cpu time    0.4086: real time    0.4087
     EDDAV:  cpu time  115.2672: real time  115.3652
       DOS:  cpu time    0.0015: real time    0.0015
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        1.230   0.903  10.047  12.180
    2        1.478   2.170   0.025   3.673
    3        1.457   2.384   0.024   3.864
    4        1.243   2.167   0.000   3.410
    5        2.030   5.818   0.288   8.136
    6        2.044   5.772   0.295   8.111
--------------------------------------------------
tot          9.482  19.215  10.678  39.375
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.010  -0.003  -0.000   0.006
    2        0.003   0.023  -0.000   0.026
    3        0.002   0.010   0.000   0.012
    4        0.003   0.049   0.000   0.052
    5       -0.001  -0.001  -0.007  -0.009
    6       -0.002   0.000  -0.006  -0.008
--------------------------------------------------
tot          0.015   0.077  -0.013   0.079
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.010  -0.003  -0.000   0.006
    2        0.003   0.023  -0.000   0.026
    3        0.002   0.010   0.000   0.012
    4        0.003   0.049   0.000   0.053
    5       -0.001  -0.001  -0.007  -0.009
    6       -0.002   0.000  -0.006  -0.008
--------------------------------------------------
tot          0.015   0.078  -0.013   0.080
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.010  -0.003  -0.000   0.006
    2        0.003   0.023  -0.000   0.026
    3        0.002   0.010   0.000   0.012
    4        0.003   0.049   0.000   0.052
    5       -0.001  -0.001  -0.007  -0.009
    6       -0.002  -0.000  -0.006  -0.008
--------------------------------------------------
tot          0.015   0.078  -0.013   0.080
 
    CHARGE:  cpu time   11.3591: real time   11.3693
    MIXING:  cpu time    0.0797: real time    0.0797
    --------------------------------------------
      LOOP:  cpu time  128.1182: real time  128.2322

 eigenvalue-minimisations  : 47312
 total energy-change (2. order) : 0.3113596E+00  (-0.5903928E-01)
 number of electron      51.0000005 magnetization      -0.1263939     -0.1233843     -0.1268002
 augmentation part        6.2567108 magnetization      -0.1883250     -0.1877375     -0.1883202

 Broyden mixing:
  rms(total) = 0.46116E+00    rms(broyden)= 0.46116E+00
  rms(prec ) = 0.46892E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   7.0251
 47.3134 10.5043  3.3806  2.5148  1.4638  1.4638  1.0303  0.8827  0.8489  0.8489

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32332.91189376
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.78864889
  PAW double counting   =      5840.44524265    -5832.26471047
  entropy T*S    EENTRO =        -0.00312498
  eigenvalues    EBANDS =      -766.82606749
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.57433327 eV

  energy without entropy =      -26.57120829  energy(sigma->0) =      -26.57277078


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  16)  ---------------------------------------


    POTLOK:  cpu time    0.9895: real time    0.9909
    SETDIJ:  cpu time    0.4230: real time    0.4232
     EDDAV:  cpu time  119.4595: real time  119.5592
       DOS:  cpu time    0.0015: real time    0.0014
    CHARGE:  cpu time   11.3051: real time   11.3147
    MIXING:  cpu time    0.0797: real time    0.0798
    --------------------------------------------
      LOOP:  cpu time  132.2583: real time  132.3692

 eigenvalue-minimisations  : 49552
 total energy-change (2. order) : 0.7271506E-01  (-0.3078064E-01)
 number of electron      51.0000005 magnetization      -0.0918488     -0.0938286     -0.0909880
 augmentation part        6.2735089 magnetization      -0.0989652     -0.0999139     -0.1010007

 Broyden mixing:
  rms(total) = 0.31913E+00    rms(broyden)= 0.31912E+00
  rms(prec ) = 0.32488E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.7033
 48.0236 10.0529  4.3202  2.5585  2.0443  2.0443  1.0558  0.9850  0.9850  0.8335
  0.8335

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.39231394
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.71698580
  PAW double counting   =      5946.23066547    -5938.32424757
  entropy T*S    EENTRO =        -0.00284875
  eigenvalues    EBANDS =      -765.92743111
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.50161820 eV

  energy without entropy =      -26.49876945  energy(sigma->0) =      -26.50019382


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  17)  ---------------------------------------


    POTLOK:  cpu time    0.9782: real time    0.9840
    SETDIJ:  cpu time    0.4124: real time    0.4125
     EDDAV:  cpu time  117.3939: real time  117.4934
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.2966: real time   11.3063
    MIXING:  cpu time    0.0833: real time    0.0834
    --------------------------------------------
      LOOP:  cpu time  130.1659: real time  130.2810

 eigenvalue-minimisations  : 48320
 total energy-change (2. order) : 0.4075121E-01  (-0.1773900E-01)
 number of electron      51.0000005 magnetization      -0.0651782     -0.0680835     -0.0638069
 augmentation part        6.2691231 magnetization      -0.0401102     -0.0432141     -0.0407158

 Broyden mixing:
  rms(total) = 0.22609E+00    rms(broyden)= 0.22609E+00
  rms(prec ) = 0.23046E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.3165
 46.5032 11.1750  5.0991  2.8906  2.4849  1.8557  1.1160  1.0470  1.0470  0.9600
  0.8100  0.8100

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32345.95232943
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.76065127
  PAW double counting   =      5891.46438586    -5883.44316664
  entropy T*S    EENTRO =        -0.00288845
  eigenvalues    EBANDS =      -753.48509149
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.46086699 eV

  energy without entropy =      -26.45797854  energy(sigma->0) =      -26.45942277


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  18)  ---------------------------------------


    POTLOK:  cpu time    0.9794: real time    0.9806
    SETDIJ:  cpu time    0.3920: real time    0.3922
     EDDAV:  cpu time  123.2187: real time  123.3347
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.3598: real time   11.3692
    MIXING:  cpu time    0.0833: real time    0.0833
    --------------------------------------------
      LOOP:  cpu time  136.0348: real time  136.1616

 eigenvalue-minimisations  : 49992
 total energy-change (2. order) : 0.3596785E-01  (-0.1253206E-01)
 number of electron      51.0000005 magnetization      -0.0055395     -0.0078803     -0.0027643
 augmentation part        6.2759773 magnetization       0.0103692      0.0093396      0.0096851

 Broyden mixing:
  rms(total) = 0.16250E+00    rms(broyden)= 0.16250E+00
  rms(prec ) = 0.16548E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   5.9753
 46.5420 10.7718  5.6983  3.0085  2.3971  2.1965  1.2704  1.2704  0.8874  0.8874
  1.0321  0.8584  0.8584

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32345.18519662
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.70683984
  PAW double counting   =      5872.32260662    -5864.23669207
  entropy T*S    EENTRO =        -0.00304473
  eigenvalues    EBANDS =      -754.22698408
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.42489914 eV

  energy without entropy =      -26.42185441  energy(sigma->0) =      -26.42337678


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  19)  ---------------------------------------


    POTLOK:  cpu time    0.9788: real time    0.9806
    SETDIJ:  cpu time    0.4069: real time    0.4071
     EDDAV:  cpu time  123.4283: real time  123.5389
       DOS:  cpu time    0.0023: real time    0.0023
    CHARGE:  cpu time   12.2425: real time   12.2551
    MIXING:  cpu time    0.0917: real time    0.0918
    --------------------------------------------
      LOOP:  cpu time  137.1506: real time  137.2757

 eigenvalue-minimisations  : 48648
 total energy-change (2. order) :-0.3959349E-02  (-0.1895487E-02)
 number of electron      51.0000005 magnetization       0.0065481      0.0047758      0.0107946
 augmentation part        6.2782560 magnetization       0.0065844      0.0054989      0.0066759

 Broyden mixing:
  rms(total) = 0.13853E+00    rms(broyden)= 0.13853E+00
  rms(prec ) = 0.14189E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   5.8171
 45.2631 11.2303  7.9661  3.2965  2.6428  2.6428  1.4703  1.4703  1.0366  1.0366
  0.8690  0.8690  0.8472  0.7984

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32344.66503385
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.71660486
  PAW double counting   =      5894.84234784    -5886.82327269
  entropy T*S    EENTRO =        -0.00274859
  eigenvalues    EBANDS =      -754.69432796
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.42885849 eV

  energy without entropy =      -26.42610990  energy(sigma->0) =      -26.42748420


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  20)  ---------------------------------------


    POTLOK:  cpu time    0.9985: real time    1.0035
    SETDIJ:  cpu time    0.4157: real time    0.4159
     EDDAV:  cpu time  121.6496: real time  121.7513
       DOS:  cpu time    0.0033: real time    0.0033
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        1.215   0.869  10.048  12.133
    2        1.481   2.295   0.025   3.801
    3        1.455   2.343   0.020   3.818
    4        1.252   2.271   0.000   3.523
    5        2.024   5.806   0.238   8.067
    6        2.041   5.772   0.296   8.109
--------------------------------------------------
tot          9.469  19.356  10.626  39.451
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.002   0.001   0.000  -0.001
    2       -0.000  -0.004   0.000  -0.004
    3       -0.000  -0.001  -0.000  -0.001
    4       -0.001  -0.008   0.000  -0.009
    5        0.000   0.000   0.001   0.001
    6        0.000   0.000   0.001   0.002
--------------------------------------------------
tot         -0.002  -0.012   0.002  -0.012
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.002   0.001   0.000  -0.001
    2       -0.000  -0.004   0.000  -0.004
    3       -0.000  -0.001  -0.000  -0.001
    4       -0.001  -0.008   0.000  -0.009
    5        0.000   0.000   0.001   0.001
    6        0.000   0.000   0.001   0.002
--------------------------------------------------
tot         -0.002  -0.012   0.002  -0.012
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.002   0.001   0.000  -0.001
    2       -0.000  -0.004   0.000  -0.004
    3       -0.000  -0.001  -0.000  -0.001
    4       -0.001  -0.009   0.000  -0.009
    5        0.000   0.000   0.001   0.001
    6        0.000   0.000   0.001   0.002
--------------------------------------------------
tot         -0.002  -0.012   0.002  -0.012
 
    CHARGE:  cpu time   11.4134: real time   11.4226
    MIXING:  cpu time    0.0937: real time    0.0938
    --------------------------------------------
      LOOP:  cpu time  134.5742: real time  134.6903

 eigenvalue-minimisations  : 51048
 total energy-change (2. order) : 0.1691293E-01  (-0.1770296E-02)
 number of electron      51.0000005 magnetization       0.0228805      0.0222289      0.0285124
 augmentation part        6.2857698 magnetization       0.0206889      0.0207637      0.0217999

 Broyden mixing:
  rms(total) = 0.11137E+00    rms(broyden)= 0.11137E+00
  rms(prec ) = 0.11358E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   5.6461
 45.3690 10.5326  9.6224  3.5792  2.9424  2.5151  1.7933  1.7933  1.0710  1.0710
  0.9269  0.9269  0.8717  0.8384  0.8384

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32342.55159375
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.68878089
  PAW double counting   =      5867.93024543    -5859.83573813
  entropy T*S    EENTRO =        -0.00268299
  eigenvalues    EBANDS =      -756.83852891
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.41194556 eV

  energy without entropy =      -26.40926257  energy(sigma->0) =      -26.41060406


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  21)  ---------------------------------------


    POTLOK:  cpu time    1.0052: real time    1.0069
    SETDIJ:  cpu time    0.4031: real time    0.4033
     EDDAV:  cpu time  125.6173: real time  125.7365
       DOS:  cpu time    0.0040: real time    0.0040
    CHARGE:  cpu time   11.3467: real time   11.3560
    MIXING:  cpu time    0.0985: real time    0.0985
    --------------------------------------------
      LOOP:  cpu time  138.4749: real time  138.6054

 eigenvalue-minimisations  : 48584
 total energy-change (2. order) : 0.1008236E-01  (-0.1535697E-02)
 number of electron      51.0000005 magnetization       0.0041987      0.0040506      0.0106565
 augmentation part        6.2848120 magnetization      -0.0046441     -0.0039747     -0.0035055

 Broyden mixing:
  rms(total) = 0.82015E-01    rms(broyden)= 0.82014E-01
  rms(prec ) = 0.83002E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   5.8360
 44.4281 15.3253 11.5049  4.7973  3.0216  2.6460  2.4114  1.4005  1.4005  1.0517
  1.0137  1.0137  0.8503  0.8503  0.8301  0.8301

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32339.14829487
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.68144653
  PAW double counting   =      5876.12223487    -5868.05722394
  entropy T*S    EENTRO =        -0.00277389
  eigenvalues    EBANDS =      -760.19482380
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.40186319 eV

  energy without entropy =      -26.39908931  energy(sigma->0) =      -26.40047625


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  22)  ---------------------------------------


    POTLOK:  cpu time    1.0094: real time    1.0118
    SETDIJ:  cpu time    0.4192: real time    0.4193
     EDDAV:  cpu time  119.7996: real time  119.8998
       DOS:  cpu time    0.0032: real time    0.0032
    CHARGE:  cpu time   11.3146: real time   11.3237
    MIXING:  cpu time    0.1033: real time    0.1034
    --------------------------------------------
      LOOP:  cpu time  132.6492: real time  132.7611

 eigenvalue-minimisations  : 49792
 total energy-change (2. order) : 0.3175489E-02  (-0.2252830E-02)
 number of electron      51.0000005 magnetization      -0.0062549     -0.0062012     -0.0007446
 augmentation part        6.2808355 magnetization      -0.0089698     -0.0085636     -0.0088278

 Broyden mixing:
  rms(total) = 0.56487E-01    rms(broyden)= 0.56487E-01
  rms(prec ) = 0.57172E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   5.8390
 44.1118 19.4470 11.3930  5.1300  3.2100  2.5702  2.4921  1.6399  1.6399  1.2167
  1.0541  0.9677  0.9677  0.8441  0.8441  0.8671  0.8671

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32335.68830736
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.68010326
  PAW double counting   =      5890.16181025    -5882.15106931
  entropy T*S    EENTRO =        -0.00296035
  eigenvalues    EBANDS =      -763.59583609
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39868771 eV

  energy without entropy =      -26.39572735  energy(sigma->0) =      -26.39720753


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  23)  ---------------------------------------


    POTLOK:  cpu time    1.0032: real time    1.0045
    SETDIJ:  cpu time    0.4080: real time    0.4082
     EDDAV:  cpu time  121.5039: real time  121.6037
       DOS:  cpu time    0.0033: real time    0.0033
    CHARGE:  cpu time   11.3288: real time   11.3381
    MIXING:  cpu time    0.1068: real time    0.1069
    --------------------------------------------
      LOOP:  cpu time  134.3540: real time  134.4648

 eigenvalue-minimisations  : 50792
 total energy-change (2. order) :-0.2360315E-03  (-0.6824922E-03)
 number of electron      51.0000005 magnetization      -0.0055873     -0.0052858     -0.0009990
 augmentation part        6.2856616 magnetization      -0.0044779     -0.0042224     -0.0045482

 Broyden mixing:
  rms(total) = 0.48603E-01    rms(broyden)= 0.48602E-01
  rms(prec ) = 0.49224E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   5.8143
 44.3132 22.1909 11.6656  5.5680  3.1959  2.6337  2.6337  2.2335  1.5209  1.1990
  1.1990  1.0130  1.0130  0.8399  0.8399  0.9048  0.8469  0.8469

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32334.41581400
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.67514937
  PAW double counting   =      5891.28142024    -5883.27762788
  entropy T*S    EENTRO =        -0.00297305
  eigenvalues    EBANDS =      -764.85665033
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39892374 eV

  energy without entropy =      -26.39595069  energy(sigma->0) =      -26.39743721


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  24)  ---------------------------------------


    POTLOK:  cpu time    0.9970: real time    1.0032
    SETDIJ:  cpu time    0.4025: real time    0.4027
     EDDAV:  cpu time  123.7662: real time  123.8680
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.3769: real time   11.3866
    MIXING:  cpu time    0.1126: real time    0.1127
    --------------------------------------------
      LOOP:  cpu time  136.6567: real time  136.7747

 eigenvalue-minimisations  : 52256
 total energy-change (2. order) :-0.2961974E-03  (-0.6819126E-04)
 number of electron      51.0000005 magnetization      -0.0205217     -0.0192761     -0.0184103
 augmentation part        6.2867170 magnetization      -0.0183654     -0.0175572     -0.0204424

 Broyden mixing:
  rms(total) = 0.43894E-01    rms(broyden)= 0.43894E-01
  rms(prec ) = 0.44551E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   5.9129
 44.5916 25.9533 11.8802  6.6706  3.9476  2.8983  2.5936  2.3230  1.5916  1.3442
  1.3442  1.0434  1.0434  0.8432  0.8432  0.8989  0.8989  0.8647  0.7719

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32334.22754807
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.68013316
  PAW double counting   =      5898.19724806    -5890.21855872
  entropy T*S    EENTRO =        -0.00291499
  eigenvalues    EBANDS =      -765.02515128
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39921993 eV

  energy without entropy =      -26.39630494  energy(sigma->0) =      -26.39776244


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  25)  ---------------------------------------


    POTLOK:  cpu time    1.0041: real time    1.0061
    SETDIJ:  cpu time    0.4111: real time    0.4113
     EDDAV:  cpu time  122.9299: real time  123.0346
       DOS:  cpu time    0.0032: real time    0.0032
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        1.217   0.861  10.047  12.125
    2        1.482   2.281   0.025   3.788
    3        1.459   2.396   0.021   3.876
    4        1.253   2.297   0.000   3.550
    5        2.022   5.803   0.231   8.056
    6        2.040   5.772   0.294   8.106
--------------------------------------------------
tot          9.473  19.411  10.618  39.501
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.001  -0.000  -0.000  -0.001
    2        0.000  -0.001   0.000  -0.001
    3        0.000  -0.000  -0.000  -0.000
    4        0.000   0.001   0.000   0.001
    5       -0.000   0.000  -0.000  -0.000
    6       -0.000   0.000  -0.000  -0.000
--------------------------------------------------
tot         -0.001   0.000  -0.000  -0.001
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.001  -0.000  -0.000  -0.001
    2        0.000  -0.001   0.000  -0.001
    3       -0.000  -0.000  -0.000  -0.000
    4        0.000   0.001   0.000   0.001
    5       -0.000   0.000  -0.000  -0.000
    6       -0.000   0.000  -0.000   0.000
--------------------------------------------------
tot         -0.001   0.000  -0.000  -0.001
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.001   0.000  -0.000  -0.001
    2        0.000  -0.001   0.000  -0.001
    3       -0.000  -0.000  -0.000  -0.000
    4        0.000   0.002   0.000   0.002
    5       -0.000   0.000  -0.000  -0.000
    6        0.000   0.000  -0.000   0.000
--------------------------------------------------
tot         -0.001   0.000  -0.000  -0.001
 
    CHARGE:  cpu time   11.4203: real time   11.4300
    MIXING:  cpu time    0.1183: real time    0.1184
    --------------------------------------------
      LOOP:  cpu time  135.8870: real time  136.0037

 eigenvalue-minimisations  : 51600
 total energy-change (2. order) : 0.2455000E-03  (-0.1354001E-03)
 number of electron      51.0000005 magnetization      -0.0079724     -0.0053068     -0.0074801
 augmentation part        6.2870131 magnetization      -0.0003426      0.0008479     -0.0025273

 Broyden mixing:
  rms(total) = 0.35305E-01    rms(broyden)= 0.35305E-01
  rms(prec ) = 0.36000E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   5.9295
 45.1712 28.0334 12.1306  7.9759  4.1838  2.8745  2.6108  2.6108  1.8779  1.5962
  1.1887  1.1887  1.0551  0.9153  0.9153  0.8896  0.8448  0.8448  0.8413  0.8413

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.33779019
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.68661410
  PAW double counting   =      5906.91210989    -5898.97151289
  entropy T*S    EENTRO =        -0.00298886
  eigenvalues    EBANDS =      -765.88297838
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39897443 eV

  energy without entropy =      -26.39598557  energy(sigma->0) =      -26.39748000


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  26)  ---------------------------------------


    POTLOK:  cpu time    0.9674: real time    0.9744
    SETDIJ:  cpu time    0.4270: real time    0.4271
     EDDAV:  cpu time  118.7973: real time  118.8995
       DOS:  cpu time    0.0032: real time    0.0032
    CHARGE:  cpu time   11.3803: real time   11.3898
    MIXING:  cpu time    0.1196: real time    0.1197
    --------------------------------------------
      LOOP:  cpu time  131.6948: real time  131.8138

 eigenvalue-minimisations  : 49064
 total energy-change (2. order) : 0.2814308E-03  (-0.1806789E-03)
 number of electron      51.0000005 magnetization      -0.0004603      0.0036381     -0.0010611
 augmentation part        6.2883106 magnetization       0.0055193      0.0064924      0.0041594

 Broyden mixing:
  rms(total) = 0.24741E-01    rms(broyden)= 0.24741E-01
  rms(prec ) = 0.25400E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.4198
 46.8897 33.4967 14.4233 11.3495  5.1333  3.4619  2.8320  2.5801  2.3226  1.4068
  1.4068  1.2692  1.0258  1.0258  0.9797  0.9797  0.8451  0.8451  0.8353  0.8353
  0.8713

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32332.99507223
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.69900651
  PAW double counting   =      5925.85977139    -5917.98453647
  entropy T*S    EENTRO =        -0.00290107
  eigenvalues    EBANDS =      -766.17253303
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39869300 eV

  energy without entropy =      -26.39579193  energy(sigma->0) =      -26.39724247


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  27)  ---------------------------------------


    POTLOK:  cpu time    1.0050: real time    1.0066
    SETDIJ:  cpu time    0.4223: real time    0.4225
     EDDAV:  cpu time  120.9444: real time  121.0478
       DOS:  cpu time    0.0016: real time    0.0016
    CHARGE:  cpu time   11.3545: real time   11.3641
    MIXING:  cpu time    0.1344: real time    0.1345
    --------------------------------------------
      LOOP:  cpu time  133.8623: real time  133.9771

 eigenvalue-minimisations  : 50368
 total energy-change (2. order) : 0.2348822E-03  (-0.2651395E-03)
 number of electron      51.0000005 magnetization       0.0039061      0.0079793      0.0034144
 augmentation part        6.2907887 magnetization       0.0056589      0.0054751      0.0057217

 Broyden mixing:
  rms(total) = 0.18765E-01    rms(broyden)= 0.18765E-01
  rms(prec ) = 0.19643E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.3756
 48.0895 34.5837 15.6122 11.3150  5.2100  3.6828  2.6970  2.5531  2.5531  1.7382
  1.6334  1.1642  1.1642  1.0199  1.0199  1.0238  0.8426  0.8426  0.9277  0.9277
  0.8310  0.8310

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32332.65590680
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.69671245
  PAW double counting   =      5931.35932807    -5923.50131380
  entropy T*S    EENTRO =        -0.00300754
  eigenvalues    EBANDS =      -766.49184240
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39845812 eV

  energy without entropy =      -26.39545058  energy(sigma->0) =      -26.39695435


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  28)  ---------------------------------------


    POTLOK:  cpu time    1.0070: real time    1.0100
    SETDIJ:  cpu time    0.4120: real time    0.4122
     EDDAV:  cpu time  115.3861: real time  115.4850
       DOS:  cpu time    0.0035: real time    0.0035
    CHARGE:  cpu time   11.3768: real time   11.3865
    MIXING:  cpu time    0.1427: real time    0.1428
    --------------------------------------------
      LOOP:  cpu time  128.3282: real time  128.4400

 eigenvalue-minimisations  : 47368
 total energy-change (2. order) : 0.3552897E-03  (-0.1631908E-03)
 number of electron      51.0000005 magnetization       0.0040677      0.0081425      0.0036880
 augmentation part        6.2921897 magnetization       0.0024717      0.0023461      0.0025943

 Broyden mixing:
  rms(total) = 0.14683E-01    rms(broyden)= 0.14683E-01
  rms(prec ) = 0.14897E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.2871
 48.7445 35.4894 15.7447 11.3777  5.2426  4.2128  2.9585  2.9585  2.5367  2.1670
  1.5085  1.2476  1.2476  1.0866  0.9926  0.9926  0.8420  0.8420  0.9349  0.9349
  0.8651  0.8376  0.8376

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.43004492
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.70131433
  PAW double counting   =      5935.17096613    -5927.31814982
  entropy T*S    EENTRO =        -0.00281657
  eigenvalues    EBANDS =      -765.71694387
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39810283 eV

  energy without entropy =      -26.39528627  energy(sigma->0) =      -26.39669455


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  29)  ---------------------------------------


    POTLOK:  cpu time    0.9762: real time    0.9784
    SETDIJ:  cpu time    0.3942: real time    0.3943
     EDDAV:  cpu time  120.4424: real time  120.5420
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.3478: real time   11.3570
    MIXING:  cpu time    0.1410: real time    0.1411
    --------------------------------------------
      LOOP:  cpu time  133.3031: real time  133.4143

 eigenvalue-minimisations  : 50232
 total energy-change (2. order) : 0.4180398E-04  (-0.2295383E-04)
 number of electron      51.0000005 magnetization       0.0024464      0.0071056      0.0018015
 augmentation part        6.2916320 magnetization       0.0004747      0.0006836      0.0002556

 Broyden mixing:
  rms(total) = 0.12670E-01    rms(broyden)= 0.12670E-01
  rms(prec ) = 0.12873E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.1809
 48.7515 36.7492 16.0500 11.5087  5.3583  4.5599  3.1283  2.8026  2.3307  2.3307
  1.7876  1.3752  1.2821  1.2466  0.9836  0.9836  0.9744  0.9744  0.8436  0.8436
  0.9115  0.9115  0.8274  0.8274

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.39742581
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.70045916
  PAW double counting   =      5935.01052812    -5927.15206191
  entropy T*S    EENTRO =        -0.00284008
  eigenvalues    EBANDS =      -765.75429240
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39806103 eV

  energy without entropy =      -26.39522094  energy(sigma->0) =      -26.39664099


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  30)  ---------------------------------------


    POTLOK:  cpu time    0.9818: real time    0.9829
    SETDIJ:  cpu time    0.4173: real time    0.4175
     EDDAV:  cpu time  116.3415: real time  116.4376
       DOS:  cpu time    0.0015: real time    0.0015
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        1.215   0.859  10.047  12.121
    2        1.482   2.290   0.025   3.797
    3        1.458   2.382   0.020   3.860
    4        1.253   2.300   0.000   3.553
    5        2.022   5.804   0.233   8.059
    6        2.040   5.772   0.293   8.105
--------------------------------------------------
tot          9.470  19.408  10.619  39.496
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000  -0.000  -0.000   0.000
    2        0.000   0.001  -0.000   0.001
    3        0.000   0.000   0.000   0.000
    4        0.000   0.001   0.000   0.001
    5       -0.000  -0.000  -0.000  -0.000
    6       -0.000  -0.000  -0.000  -0.000
--------------------------------------------------
tot          0.000   0.001  -0.000   0.001
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000  -0.000  -0.000   0.000
    2        0.000   0.001  -0.000   0.001
    3        0.000   0.000   0.000   0.000
    4        0.000   0.001   0.000   0.001
    5       -0.000  -0.000   0.000  -0.000
    6        0.000   0.000   0.000   0.000
--------------------------------------------------
tot          0.000   0.001   0.000   0.002
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000  -0.000  -0.000   0.000
    2        0.000   0.001  -0.000   0.001
    3        0.000   0.000   0.000   0.000
    4        0.000   0.001   0.000   0.001
    5       -0.000  -0.000  -0.000  -0.000
    6       -0.000  -0.000  -0.000  -0.000
--------------------------------------------------
tot          0.000   0.001  -0.000   0.001
 
    CHARGE:  cpu time   11.3724: real time   11.3816
    MIXING:  cpu time    0.1532: real time    0.1533
    --------------------------------------------
      LOOP:  cpu time  129.2677: real time  129.3745

 eigenvalue-minimisations  : 47888
 total energy-change (2. order) : 0.9169699E-04  (-0.1179359E-04)
 number of electron      51.0000005 magnetization       0.0008979      0.0066327      0.0001430
 augmentation part        6.2921256 magnetization      -0.0006829     -0.0000512     -0.0008195

 Broyden mixing:
  rms(total) = 0.97898E-02    rms(broyden)= 0.97898E-02
  rms(prec ) = 0.10002E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.1973
 48.3139 37.5415 16.8070 11.8009  7.6339  5.1655  3.3462  2.7865  2.6405  2.6405
  2.1185  1.5190  1.2584  1.2584  1.0308  1.0308  1.0264  0.9861  0.9861  0.8430
  0.8430  0.9019  0.8236  0.8236  0.8062

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.29660536
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.69985590
  PAW double counting   =      5933.04859953    -5925.17604926
  entropy T*S    EENTRO =        -0.00284979
  eigenvalues    EBANDS =      -765.86849225
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39796933 eV

  energy without entropy =      -26.39511954  energy(sigma->0) =      -26.39654443


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  31)  ---------------------------------------


    POTLOK:  cpu time    1.0023: real time    1.0045
    SETDIJ:  cpu time    0.4123: real time    0.4125
     EDDAV:  cpu time  120.0811: real time  120.1834
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.3788: real time   11.3874
    MIXING:  cpu time    0.1610: real time    0.1611
    --------------------------------------------
      LOOP:  cpu time  133.0371: real time  133.1505

 eigenvalue-minimisations  : 49824
 total energy-change (2. order) : 0.1245762E-03  (-0.3525084E-04)
 number of electron      51.0000005 magnetization      -0.0033076      0.0027881     -0.0040360
 augmentation part        6.2934523 magnetization      -0.0046494     -0.0046188     -0.0046452

 Broyden mixing:
  rms(total) = 0.69601E-02    rms(broyden)= 0.69600E-02
  rms(prec ) = 0.70743E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.2894
 48.8503 38.9088 18.2192 12.6551 10.1805  5.1366  3.6124  2.9593  2.5399  2.5399
  2.3578  1.5301  1.5301  1.1905  1.1905  1.0473  1.0473  1.0068  1.0068  0.8439
  0.8439  0.8958  0.8839  0.8839  0.8321  0.8321

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.31652482
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.69889160
  PAW double counting   =      5930.57476735    -5922.67830719
  entropy T*S    EENTRO =        -0.00280385
  eigenvalues    EBANDS =      -765.87143974
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39784475 eV

  energy without entropy =      -26.39504091  energy(sigma->0) =      -26.39644283


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  32)  ---------------------------------------


    POTLOK:  cpu time    0.9925: real time    0.9983
    SETDIJ:  cpu time    0.3967: real time    0.3969
     EDDAV:  cpu time  119.8534: real time  119.9477
       DOS:  cpu time    0.0033: real time    0.0033
    CHARGE:  cpu time   11.3677: real time   11.3764
    MIXING:  cpu time    0.1727: real time    0.1728
    --------------------------------------------
      LOOP:  cpu time  132.7863: real time  132.8955

 eigenvalue-minimisations  : 49832
 total energy-change (2. order) :-0.1465663E-04  (-0.1310773E-04)
 number of electron      51.0000005 magnetization      -0.0014102      0.0054331     -0.0022290
 augmentation part        6.2930471 magnetization      -0.0014316     -0.0011734     -0.0015542

 Broyden mixing:
  rms(total) = 0.60201E-02    rms(broyden)= 0.60201E-02
  rms(prec ) = 0.61508E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.3333
 49.7610 40.7551 18.9387 13.5389 10.6306  5.1964  3.8383  3.2593  2.7373  2.5179
  2.3083  2.3083  1.5297  1.2615  1.2615  1.0114  1.0114  1.0813  1.0813  0.8433
  0.8433  0.9416  0.9416  0.8338  0.8338  0.8673  0.8673

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.29361805
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.70047320
  PAW double counting   =      5933.07951575    -5925.18734489
  entropy T*S    EENTRO =        -0.00282039
  eigenvalues    EBANDS =      -765.89163693
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39785941 eV

  energy without entropy =      -26.39503902  energy(sigma->0) =      -26.39644922


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  33)  ---------------------------------------


    POTLOK:  cpu time    0.9882: real time    0.9916
    SETDIJ:  cpu time    0.4021: real time    0.4023
     EDDAV:  cpu time  130.4459: real time  130.5641
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.3414: real time   11.3498
    MIXING:  cpu time    0.1778: real time    0.1779
    --------------------------------------------
      LOOP:  cpu time  143.3568: real time  143.4872

 eigenvalue-minimisations  : 50408
 total energy-change (2. order) : 0.5618992E-05  (-0.5786759E-05)
 number of electron      51.0000005 magnetization       0.0005732      0.0082961     -0.0002738
 augmentation part        6.2933864 magnetization       0.0003058      0.0005794      0.0003537

 Broyden mixing:
  rms(total) = 0.39491E-02    rms(broyden)= 0.39491E-02
  rms(prec ) = 0.40713E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.3606
 49.4074 42.5964 20.1627 15.2125 11.0293  5.3194  4.0731  3.5381  2.9463  2.5238
  2.5238  2.3242  1.4796  1.4458  1.2014  1.2014  1.0535  1.0535  0.9878  0.9878
  0.9752  0.9752  0.8435  0.8435  0.8593  0.8593  0.8367  0.8367

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.05352124
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.69991452
  PAW double counting   =      5933.20642976    -5925.31262166
  entropy T*S    EENTRO =        -0.00283407
  eigenvalues    EBANDS =      -766.13279300
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39785379 eV

  energy without entropy =      -26.39501972  energy(sigma->0) =      -26.39643676


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  34)  ---------------------------------------


    POTLOK:  cpu time    0.9979: real time    1.0006
    SETDIJ:  cpu time    0.3903: real time    0.3904
     EDDAV:  cpu time  117.4711: real time  117.5608
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.3507: real time   11.3591
    MIXING:  cpu time    0.1904: real time    0.1905
    --------------------------------------------
      LOOP:  cpu time  130.4019: real time  130.5029

 eigenvalue-minimisations  : 48328
 total energy-change (2. order) : 0.5710017E-06  (-0.6575951E-05)
 number of electron      51.0000005 magnetization       0.0007895      0.0094047     -0.0001438
 augmentation part        6.2939537 magnetization      -0.0000148      0.0002521     -0.0000095

 Broyden mixing:
  rms(total) = 0.35413E-02    rms(broyden)= 0.35412E-02
  rms(prec ) = 0.36681E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.2959
 49.1321 43.1567 20.8630 16.0357 11.2006  5.2719  4.6174  3.7303  2.8593  2.6837
  2.3956  2.3956  2.2271  1.4666  1.2402  1.2402  1.0829  1.0829  0.9924  0.9924
  0.9582  0.9582  0.8433  0.8433  0.9047  0.9047  0.8292  0.8292  0.8420

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.01998546
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.69905352
  PAW double counting   =      5932.19601294    -5924.29913161
  entropy T*S    EENTRO =        -0.00283086
  eigenvalues    EBANDS =      -766.16854365
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39785322 eV

  energy without entropy =      -26.39502237  energy(sigma->0) =      -26.39643779


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  35)  ---------------------------------------


    POTLOK:  cpu time    0.9896: real time    0.9912
    SETDIJ:  cpu time    0.4111: real time    0.4112
     EDDAV:  cpu time  114.7024: real time  114.7917
       DOS:  cpu time    0.0036: real time    0.0036
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        1.216   0.862  10.047  12.125
    2        1.482   2.286   0.025   3.793
    3        1.457   2.381   0.020   3.859
    4        1.253   2.301   0.000   3.555
    5        2.022   5.804   0.233   8.059
    6        2.040   5.772   0.293   8.105
--------------------------------------------------
tot          9.470  19.406  10.619  39.495
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000  -0.000   0.000  -0.000
    3       -0.000  -0.000   0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
--------------------------------------------------
tot         -0.000  -0.000   0.000  -0.000
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000  -0.000   0.000  -0.000
    3       -0.000  -0.000   0.000  -0.000
    4        0.000   0.000   0.000   0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.001
--------------------------------------------------
tot          0.000   0.000   0.000   0.001
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000   0.000
    2       -0.000  -0.000   0.000  -0.000
    3       -0.000  -0.000  -0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
--------------------------------------------------
tot         -0.000  -0.001   0.000  -0.001
 
    CHARGE:  cpu time   11.4735: real time   11.4823
    MIXING:  cpu time    0.1990: real time    0.1991
    --------------------------------------------
      LOOP:  cpu time  127.7791: real time  127.8791

 eigenvalue-minimisations  : 46848
 total energy-change (2. order) : 0.7016454E-05  (-0.1709904E-05)
 number of electron      51.0000005 magnetization       0.0014890      0.0116689      0.0003904
 augmentation part        6.2938942 magnetization       0.0003561      0.0012320      0.0002566

 Broyden mixing:
  rms(total) = 0.28538E-02    rms(broyden)= 0.28537E-02
  rms(prec ) = 0.29855E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.3012
 49.3325 43.5847 21.7451 17.0579 11.3581  6.4185  5.2560  3.8866  2.9433  2.9433
  2.4455  2.4455  2.4061  1.4244  1.4244  1.1854  1.1160  1.1160  1.0498  1.0498
  0.9791  0.9791  0.8434  0.8434  0.9131  0.9131  0.8332  0.8332  0.8544  0.8544

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.10402592
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.69949533
  PAW double counting   =      5932.30746541    -5924.41329590
  entropy T*S    EENTRO =        -0.00282876
  eigenvalues    EBANDS =      -766.08222827
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39784620 eV

  energy without entropy =      -26.39501744  energy(sigma->0) =      -26.39643182


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  36)  ---------------------------------------


    POTLOK:  cpu time    1.0039: real time    1.0050
    SETDIJ:  cpu time    0.4148: real time    0.4149
     EDDAV:  cpu time  112.4644: real time  112.5515
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time   11.3274: real time   11.3356
    MIXING:  cpu time    0.2023: real time    0.2024
    --------------------------------------------
      LOOP:  cpu time  125.4143: real time  125.5110

 eigenvalue-minimisations  : 45376
 total energy-change (2. order) : 0.1388256E-05  (-0.2440957E-05)
 number of electron      51.0000005 magnetization       0.0010067      0.0122694     -0.0002172
 augmentation part        6.2937566 magnetization      -0.0008493     -0.0007328     -0.0009189

 Broyden mixing:
  rms(total) = 0.28812E-02    rms(broyden)= 0.28812E-02
  rms(prec ) = 0.30925E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.2202
 49.4223 43.8010 22.0221 17.5179 11.5255  7.5161  5.2233  3.8855  2.8762  2.8762
  2.6021  2.6021  2.3310  1.5603  1.5603  1.1295  1.1295  1.1279  1.1279  1.0091
  1.0091  1.0663  0.9624  0.9624  0.8435  0.8435  0.9003  0.8287  0.8287  0.8670
  0.8670

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.15510429
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.69964809
  PAW double counting   =      5932.56867620    -5924.67937238
  entropy T*S    EENTRO =        -0.00283862
  eigenvalues    EBANDS =      -766.02642572
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39784482 eV

  energy without entropy =      -26.39500619  energy(sigma->0) =      -26.39642550


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  37)  ---------------------------------------


    POTLOK:  cpu time    0.9783: real time    0.9918
    SETDIJ:  cpu time    0.4278: real time    0.4280
     EDDAV:  cpu time  130.9036: real time  131.0464
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time   13.5352: real time   13.5504
    MIXING:  cpu time    0.2595: real time    0.2597
    --------------------------------------------
      LOOP:  cpu time  146.1065: real time  146.2785

 eigenvalue-minimisations  : 43856
 total energy-change (2. order) : 0.3328319E-05  (-0.2055491E-05)
 number of electron      51.0000005 magnetization       0.0013016      0.0141237     -0.0000798
 augmentation part        6.2937714 magnetization      -0.0006231     -0.0000127     -0.0007287

 Broyden mixing:
  rms(total) = 0.21498E-02    rms(broyden)= 0.21497E-02
  rms(prec ) = 0.22830E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.3217
 49.4277 44.3397 24.6337 17.9094 12.1234 10.0939  5.3534  4.1548  3.0545  3.0545
  2.6744  2.6744  2.4798  2.0321  1.5465  1.2547  1.2547  1.1500  1.1500  1.0349
  1.0349  1.0201  0.8434  0.8434  0.9381  0.9381  0.9466  0.9466  0.8315  0.8315
  0.8611  0.8611

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.25292808
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.70037600
  PAW double counting   =      5932.50611740    -5924.62026458
  entropy T*S    EENTRO =        -0.00282187
  eigenvalues    EBANDS =      -765.92589226
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39784149 eV

  energy without entropy =      -26.39501962  energy(sigma->0) =      -26.39643055


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  38)  ---------------------------------------


    POTLOK:  cpu time    1.0184: real time    1.0223
    SETDIJ:  cpu time    0.4563: real time    0.4567
     EDDAV:  cpu time  121.8303: real time  121.9760
       DOS:  cpu time    0.0037: real time    0.0036
    CHARGE:  cpu time   11.7195: real time   11.7343
    MIXING:  cpu time    0.2203: real time    0.2206
    --------------------------------------------
      LOOP:  cpu time  135.2485: real time  135.4136

 eigenvalue-minimisations  : 41824
 total energy-change (2. order) : 0.5686152E-06  (-0.1650938E-05)
 number of electron      51.0000005 magnetization       0.0014362      0.0153898     -0.0000438
 augmentation part        6.2939311 magnetization      -0.0007973     -0.0007001     -0.0008196

 Broyden mixing:
  rms(total) = 0.19719E-02    rms(broyden)= 0.19719E-02
  rms(prec ) = 0.20615E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.3517
 49.3165 44.8149 27.4980 18.1867 13.2448 10.7405  5.4553  4.4632  3.2667  3.1252
  2.6791  2.6791  2.5175  2.1283  1.6905  1.3873  1.3873  1.1657  1.0903  1.0903
  0.9661  0.9661  1.0037  1.0037  1.0090  0.8433  0.8433  0.9012  0.8341  0.8341
  0.8501  0.8501  0.7738

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.32096745
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.70022767
  PAW double counting   =      5932.40253312    -5924.52050077
  entropy T*S    EENTRO =        -0.00281132
  eigenvalues    EBANDS =      -765.85389408
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39784092 eV

  energy without entropy =      -26.39502960  energy(sigma->0) =      -26.39643526


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  39)  ---------------------------------------


    POTLOK:  cpu time    1.0372: real time    1.0496
    SETDIJ:  cpu time    0.4158: real time    0.4161
     EDDAV:  cpu time  105.6713: real time  105.7857
       DOS:  cpu time    0.0039: real time    0.0039
    CHARGE:  cpu time   11.5237: real time   11.5354
    MIXING:  cpu time    0.2213: real time    0.2215
    --------------------------------------------
      LOOP:  cpu time  118.8732: real time  119.0121

 eigenvalue-minimisations  : 39576
 total energy-change (2. order) :-0.1514841E-05  (-0.8761978E-06)
 number of electron      51.0000005 magnetization       0.0015435      0.0161994      0.0000018
 augmentation part        6.2939997 magnetization      -0.0007707     -0.0010839     -0.0007714

 Broyden mixing:
  rms(total) = 0.14770E-02    rms(broyden)= 0.14770E-02
  rms(prec ) = 0.15220E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   6.2794
 49.3751 45.1053 28.5128 18.4717 13.7903 10.8978  5.4675  4.6087  3.2472  3.2134
  2.6917  2.6917  2.5254  2.0641  2.0641  1.3948  1.3948  1.0863  1.0863  1.1353
  1.0790  0.9573  0.9573  0.9967  0.9967  0.8433  0.8433  0.9001  0.8309  0.8309
  0.8619  0.8619  0.8577  0.8577

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.38165254
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.70044771
  PAW double counting   =      5932.37568273    -5924.49579405
  entropy T*S    EENTRO =        -0.00279836
  eigenvalues    EBANDS =      -765.79129983
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39784243 eV

  energy without entropy =      -26.39504407  energy(sigma->0) =      -26.39644325


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  40)  ---------------------------------------


    POTLOK:  cpu time    0.9974: real time    1.0041
    SETDIJ:  cpu time    0.4437: real time    0.4440
     EDDAV:  cpu time  101.8733: real time  101.9884
       DOS:  cpu time    0.0017: real time    0.0017
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        1.215   0.861  10.047  12.124
    2        1.482   2.287   0.025   3.793
    3        1.457   2.381   0.020   3.859
    4        1.253   2.301   0.000   3.554
    5        2.022   5.804   0.233   8.060
    6        2.040   5.772   0.293   8.105
--------------------------------------------------
tot          9.470  19.406  10.619  39.494
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000  -0.000  -0.000  -0.000
    3       -0.000  -0.000   0.000  -0.000
    4        0.000   0.000   0.000   0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
--------------------------------------------------
tot          0.000   0.000   0.000   0.000
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000  -0.000   0.000  -0.000
    3       -0.000   0.000   0.000   0.000
    4        0.000   0.001   0.000   0.001
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.001
--------------------------------------------------
tot          0.000   0.001   0.001   0.002
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000  -0.000  -0.000  -0.000
    3       -0.000  -0.000  -0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000  -0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
--------------------------------------------------
tot         -0.000  -0.000   0.000  -0.000
 
    --------------------------------------------
      LOOP:  cpu time  103.3303: real time  103.4523

 eigenvalue-minimisations  : 33656
 total energy-change (2. order) :-0.7227018E-06  (-0.2646210E-06)
 number of electron      51.0000005 magnetization       0.0015435      0.0161994      0.0000018
 augmentation part        6.2939997 magnetization      -0.0007707     -0.0010839     -0.0007714

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.77422639
  Ewald energy   TEWEN  =     28503.46317635
  -Hartree energ DENC   =    -32333.37285542
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.70043183
  PAW double counting   =      5932.35496859    -5924.47571036
  entropy T*S    EENTRO =        -0.00279623
  eigenvalues    EBANDS =      -765.79945346
  atomic energy  EATOM  =      4357.96016915
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -26.39784316 eV

  energy without entropy =      -26.39504693  energy(sigma->0) =      -26.39644504


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.0894  1.0808  0.7089  1.1929
  (the norm of the test charge is              1.0000)
       1-108.9451       2 -59.9679       3 -59.7726       4 -68.4891       5 -42.2052
       6 -42.2906
 
 
 
 E-fermi :  -1.4881     XC(G=0):  -3.0426     alpha+bet : -2.9160


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -36.4135      1.00000
      2     -36.4123      1.00000
      3     -36.2792      1.00000
      4     -36.2789      1.00000
      5     -23.9391      1.00000
      6     -23.9391      1.00000
      7     -23.9316      1.00000
      8     -23.9316      1.00000
      9     -22.9140      1.00000
     10     -22.9139      1.00000
     11     -22.8962      1.00000
     12     -22.8962      1.00000
     13     -22.8930      1.00000
     14     -22.8929      1.00000
     15     -19.3409      1.00000
     16     -19.3399      1.00000
     17     -18.9939      1.00000
     18     -18.9936      1.00000
     19     -18.2989      1.00000
     20     -18.2983      1.00000
     21     -17.9253      1.00000
     22     -17.9253      1.00000
     23     -17.9121      1.00000
     24     -17.9116      1.00000
     25     -17.8149      1.00000
     26     -17.8149      1.00000
     27     -15.5295      1.00000
     28     -15.5294      1.00000
     29     -14.5480      1.00000
     30     -14.5478      1.00000
     31     -13.0187      1.00000
     32     -13.0170      1.00000
     33      -8.2981      1.00000
     34      -8.2980      1.00000
     35      -4.4751      1.00000
     36      -4.4744      1.00000
     37      -3.5641      1.00000
     38      -3.5600      1.00000
     39      -3.2757      1.00000
     40      -3.2746      1.00000
     41      -3.0791      1.00000
     42      -3.0790      1.00000
     43      -3.0788      1.00000
     44      -3.0788      1.00000
     45      -2.8521      1.00000
     46      -2.8519      1.00000
     47      -2.6745      1.00000
     48      -2.6743      1.00000
     49      -2.5733      1.00000
     50      -2.5731      1.00000
     51      -2.0514      1.00000
     52      -2.0220      1.00000
     53      -1.4613      0.22384
     54      -1.4514      0.14928
     55       0.1099      0.00000
     56       0.1112      0.00000
     57       0.6884      0.00000
     58       0.7089      0.00000
     59       1.4689      0.00000
     60       1.4691      0.00000
     61       1.5451      0.00000
     62       1.5586      0.00000
     63       1.7588      0.00000
     64       1.7588      0.00000
     65       1.9257      0.00000
     66       1.9313      0.00000
     67       2.2734      0.00000
     68       2.2783      0.00000
     69       2.3074      0.00000
     70       2.3079      0.00000
     71       2.3909      0.00000
     72       2.3909      0.00000

 k-point     2 :       0.0625    0.0000   -0.0000
  band No.  band energies     occupation 
      1     -36.4119      1.00000
      2     -36.4107      1.00000
      3     -36.2784      1.00000
      4     -36.2781      1.00000
      5     -23.9389      1.00000
      6     -23.9389      1.00000
      7     -23.9320      1.00000
      8     -23.9313      1.00000
      9     -22.9142      1.00000
     10     -22.9132      1.00000
     11     -22.8968      1.00000
     12     -22.8967      1.00000
     13     -22.8926      1.00000
     14     -22.8925      1.00000
     15     -19.3490      1.00000
     16     -19.3302      1.00000
     17     -19.0037      1.00000
     18     -19.0004      1.00000
     19     -18.3130      1.00000
     20     -18.2888      1.00000
     21     -17.9529      1.00000
     22     -17.9509      1.00000
     23     -17.9071      1.00000
     24     -17.8942      1.00000
     25     -17.8266      1.00000
     26     -17.8246      1.00000
     27     -15.5004      1.00000
     28     -15.4966      1.00000
     29     -14.5301      1.00000
     30     -14.5238      1.00000
     31     -13.0101      1.00000
     32     -13.0041      1.00000
     33      -8.3029      1.00000
     34      -8.3010      1.00000
     35      -4.4871      1.00000
     36      -4.4349      1.00000
     37      -3.6826      1.00000
     38      -3.5641      1.00000
     39      -3.4739      1.00000
     40      -3.4407      1.00000
     41      -3.2961      1.00000
     42      -3.2889      1.00000
     43      -3.0688      1.00000
     44      -3.0656      1.00000
     45      -2.9216      1.00000
     46      -2.9074      1.00000
     47      -2.7747      1.00000
     48      -2.7682      1.00000
     49      -2.6137      1.00000
     50      -2.6128      1.00000
     51      -1.9177      1.00000
     52      -1.8618      1.00000
     53      -1.3193      0.00000
     54      -1.2792      0.00000
     55       0.3376      0.00000
     56       0.3617      0.00000
     57       0.7301      0.00000
     58       0.7447      0.00000
     59       1.4030      0.00000
     60       1.4257      0.00000
     61       1.5721      0.00000
     62       1.6077      0.00000
     63       1.6968      0.00000
     64       1.7298      0.00000
     65       1.8813      0.00000
     66       1.8995      0.00000
     67       2.2508      0.00000
     68       2.2629      0.00000
     69       2.3820      0.00000
     70       2.3855      0.00000
     71       2.4603      0.00000
     72       2.4646      0.00000

 k-point     3 :       0.1250    0.0000   -0.0000
  band No.  band energies     occupation 
      1     -36.4073      1.00000
      2     -36.4061      1.00000
      3     -36.2763      1.00000
      4     -36.2760      1.00000
      5     -23.9385      1.00000
      6     -23.9383      1.00000
      7     -23.9325      1.00000
      8     -23.9313      1.00000
      9     -22.9145      1.00000
     10     -22.9123      1.00000
     11     -22.8983      1.00000
     12     -22.8980      1.00000
     13     -22.8913      1.00000
     14     -22.8913      1.00000
     15     -19.3567      1.00000
     16     -19.3190      1.00000
     17     -19.0283      1.00000
     18     -19.0245      1.00000
     19     -18.3307      1.00000
     20     -18.2834      1.00000
     21     -17.9980      1.00000
     22     -17.9971      1.00000
     23     -17.9205      1.00000
     24     -17.8863      1.00000
     25     -17.8557      1.00000
     26     -17.8418      1.00000
     27     -15.4109      1.00000
     28     -15.4040      1.00000
     29     -14.4732      1.00000
     30     -14.4620      1.00000
     31     -12.9841      1.00000
     32     -12.9719      1.00000
     33      -8.3231      1.00000
     34      -8.3204      1.00000
     35      -4.5730      1.00000
     36      -4.4367      1.00000
     37      -4.1264      1.00000
     38      -3.9788      1.00000
     39      -3.7270      1.00000
     40      -3.6568      1.00000
     41      -3.5019      1.00000
     42      -3.4759      1.00000
     43      -3.3608      1.00000
     44      -3.3328      1.00000
     45      -2.9311      1.00000
     46      -2.9222      1.00000
     47      -2.8563      1.00000
     48      -2.8409      1.00000
     49      -2.6133      1.00000
     50      -2.6102      1.00000
     51      -1.7039      1.00000
     52      -1.6466      1.00000
     53      -1.0849      0.00000
     54      -1.0419      0.00000
     55       0.6214      0.00000
     56       0.6740      0.00000
     57       0.9217      0.00000
     58       0.9313      0.00000
     59       1.2892      0.00000
     60       1.3270      0.00000
     61       1.5086      0.00000
     62       1.5280      0.00000
     63       1.8696      0.00000
     64       1.8724      0.00000
     65       2.0046      0.00000
     66       2.0099      0.00000
     67       2.3696      0.00000
     68       2.3750      0.00000
     69       2.4939      0.00000
     70       2.4949      0.00000
     71       2.5491      0.00000
     72       2.5559      0.00000

 k-point     4 :       0.1875    0.0000   -0.0000
  band No.  band energies     occupation 
      1     -36.4004      1.00000
      2     -36.3992      1.00000
      3     -36.2731      1.00000
      4     -36.2729      1.00000
      5     -23.9382      1.00000
      6     -23.9377      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9152      1.00000
     10     -22.9119      1.00000
     11     -22.9000      1.00000
     12     -22.8994      1.00000
     13     -22.8893      1.00000
     14     -22.8891      1.00000
     15     -19.3641      1.00000
     16     -19.3096      1.00000
     17     -19.0651      1.00000
     18     -19.0642      1.00000
     19     -18.3494      1.00000
     20     -18.2810      1.00000
     21     -18.0586      1.00000
     22     -18.0484      1.00000
     23     -17.9560      1.00000
     24     -17.9151      1.00000
     25     -17.8680      1.00000
     26     -17.8535      1.00000
     27     -15.2666      1.00000
     28     -15.2578      1.00000
     29     -14.3870      1.00000
     30     -14.3731      1.00000
     31     -12.9464      1.00000
     32     -12.9301      1.00000
     33      -8.3817      1.00000
     34      -8.3799      1.00000
     35      -4.9846      1.00000
     36      -4.9349      1.00000
     37      -4.3582      1.00000
     38      -4.3056      1.00000
     39      -4.0268      1.00000
     40      -3.8426      1.00000
     41      -3.7509      1.00000
     42      -3.7164      1.00000
     43      -3.4433      1.00000
     44      -3.4329      1.00000
     45      -2.9614      1.00000
     46      -2.9455      1.00000
     47      -2.8653      1.00000
     48      -2.8411      1.00000
     49      -2.6060      1.00000
     50      -2.6021      1.00000
     51      -1.4662      0.26779
     52      -1.4088      0.01242
     53      -1.0927      0.00000
     54      -1.0688      0.00000
     55       0.6468      0.00000
     56       0.6747      0.00000
     57       1.0165      0.00000
     58       1.0397      0.00000
     59       1.2073      0.00000
     60       1.2438      0.00000
     61       1.8268      0.00000
     62       1.8684      0.00000
     63       2.0954      0.00000
     64       2.1251      0.00000
     65       2.3237      0.00000
     66       2.3282      0.00000
     67       2.4029      0.00000
     68       2.4237      0.00000
     69       2.6018      0.00000
     70       2.6068      0.00000
     71       2.6561      0.00000
     72       2.6694      0.00000

 k-point     5 :       0.2500    0.0000   -0.0000
  band No.  band energies     occupation 
      1     -36.3922      1.00000
      2     -36.3909      1.00000
      3     -36.2695      1.00000
      4     -36.2692      1.00000
      5     -23.9385      1.00000
      6     -23.9374      1.00000
      7     -23.9322      1.00000
      8     -23.9313      1.00000
      9     -22.9170      1.00000
     10     -22.9132      1.00000
     11     -22.9008      1.00000
     12     -22.9003      1.00000
     13     -22.8866      1.00000
     14     -22.8860      1.00000
     15     -19.3725      1.00000
     16     -19.3052      1.00000
     17     -19.1175      1.00000
     18     -19.1068      1.00000
     19     -18.3656      1.00000
     20     -18.2812      1.00000
     21     -18.1241      1.00000
     22     -18.1007      1.00000
     23     -17.9966      1.00000
     24     -17.9610      1.00000
     25     -17.8704      1.00000
     26     -17.8621      1.00000
     27     -15.0780      1.00000
     28     -15.0686      1.00000
     29     -14.2869      1.00000
     30     -14.2729      1.00000
     31     -12.9056      1.00000
     32     -12.8879      1.00000
     33      -8.5091      1.00000
     34      -8.5082      1.00000
     35      -5.5202      1.00000
     36      -5.5121      1.00000
     37      -4.7164      1.00000
     38      -4.6451      1.00000
     39      -4.1043      1.00000
     40      -4.0336      1.00000
     41      -3.9041      1.00000
     42      -3.8587      1.00000
     43      -3.3793      1.00000
     44      -3.3746      1.00000
     45      -3.0082      1.00000
     46      -3.0023      1.00000
     47      -2.8651      1.00000
     48      -2.8323      1.00000
     49      -2.5829      1.00000
     50      -2.5792      1.00000
     51      -1.3698      0.00041
     52      -1.3613      0.00017
     53      -1.1755      0.00000
     54      -1.1143      0.00000
     55       0.5121      0.00000
     56       0.5131      0.00000
     57       0.9223      0.00000
     58       0.9601      0.00000
     59       1.4451      0.00000
     60       1.4726      0.00000
     61       2.0283      0.00000
     62       2.0369      0.00000
     63       2.2352      0.00000
     64       2.2542      0.00000
     65       2.3935      0.00000
     66       2.4249      0.00000
     67       2.6447      0.00000
     68       2.6491      0.00000
     69       2.8456      0.00000
     70       2.8496      0.00000
     71       2.8996      0.00000
     72       2.9166      0.00000

 k-point     6 :       0.3125    0.0000   -0.0000
  band No.  band energies     occupation 
      1     -36.3839      1.00000
      2     -36.3826      1.00000
      3     -36.2659      1.00000
      4     -36.2657      1.00000
      5     -23.9390      1.00000
      6     -23.9377      1.00000
      7     -23.9313      1.00000
      8     -23.9309      1.00000
      9     -22.9192      1.00000
     10     -22.9159      1.00000
     11     -22.9008      1.00000
     12     -22.9006      1.00000
     13     -22.8834      1.00000
     14     -22.8827      1.00000
     15     -19.3811      1.00000
     16     -19.3089      1.00000
     17     -19.1719      1.00000
     18     -19.1503      1.00000
     19     -18.3761      1.00000
     20     -18.2864      1.00000
     21     -18.1822      1.00000
     22     -18.1476      1.00000
     23     -18.0301      1.00000
     24     -18.0022      1.00000
     25     -17.8747      1.00000
     26     -17.8704      1.00000
     27     -14.8622      1.00000
     28     -14.8533      1.00000
     29     -14.1934      1.00000
     30     -14.1811      1.00000
     31     -12.8680      1.00000
     32     -12.8518      1.00000
     33      -8.7154      1.00000
     34      -8.7119      1.00000
     35      -5.9804      1.00000
     36      -5.9767      1.00000
     37      -4.9844      1.00000
     38      -4.9282      1.00000
     39      -4.2805      1.00000
     40      -4.2628      1.00000
     41      -3.9028      1.00000
     42      -3.8423      1.00000
     43      -3.3352      1.00000
     44      -3.3220      1.00000
     45      -3.0705      1.00000
     46      -3.0697      1.00000
     47      -2.8076      1.00000
     48      -2.7791      1.00000
     49      -2.5504      1.00000
     50      -2.5471      1.00000
     51      -1.6981      1.00000
     52      -1.6932      1.00000
     53      -0.8756      0.00000
     54      -0.8071      0.00000
     55       0.2910      0.00000
     56       0.2982      0.00000
     57       0.9016      0.00000
     58       0.9490      0.00000
     59       1.4955      0.00000
     60       1.5087      0.00000
     61       2.1905      0.00000
     62       2.1988      0.00000
     63       2.2972      0.00000
     64       2.3389      0.00000
     65       2.4120      0.00000
     66       2.4395      0.00000
     67       2.8426      0.00000
     68       2.8540      0.00000
     69       3.1608      0.00000
     70       3.1729      0.00000
     71       3.2045      0.00000
     72       3.2121      0.00000

 k-point     7 :       0.3750    0.0000   -0.0000
  band No.  band energies     occupation 
      1     -36.3767      1.00000
      2     -36.3754      1.00000
      3     -36.2629      1.00000
      4     -36.2627      1.00000
      5     -23.9396      1.00000
      6     -23.9384      1.00000
      7     -23.9305      1.00000
      8     -23.9303      1.00000
      9     -22.9213      1.00000
     10     -22.9189      1.00000
     11     -22.9006      1.00000
     12     -22.9004      1.00000
     13     -22.8804      1.00000
     14     -22.8798      1.00000
     15     -19.3871      1.00000
     16     -19.3245      1.00000
     17     -19.2140      1.00000
     18     -19.1887      1.00000
     19     -18.3787      1.00000
     20     -18.3032      1.00000
     21     -18.2185      1.00000
     22     -18.1849      1.00000
     23     -18.0520      1.00000
     24     -18.0333      1.00000
     25     -17.8800      1.00000
     26     -17.8780      1.00000
     27     -14.6449      1.00000
     28     -14.6379      1.00000
     29     -14.1283      1.00000
     30     -14.1193      1.00000
     31     -12.8374      1.00000
     32     -12.8253      1.00000
     33      -8.9550      1.00000
     34      -8.9506      1.00000
     35      -6.3255      1.00000
     36      -6.3204      1.00000
     37      -5.1053      1.00000
     38      -5.0650      1.00000
     39      -4.4431      1.00000
     40      -4.4354      1.00000
     41      -3.8914      1.00000
     42      -3.8509      1.00000
     43      -3.3507      1.00000
     44      -3.3280      1.00000
     45      -3.1318      1.00000
     46      -3.1295      1.00000
     47      -2.6877      1.00000
     48      -2.6705      1.00000
     49      -2.5209      1.00000
     50      -2.5178      1.00000
     51      -1.9886      1.00000
     52      -1.9822      1.00000
     53      -0.5440      0.00000
     54      -0.4710      0.00000
     55       0.1164      0.00000
     56       0.1235      0.00000
     57       0.8759      0.00000
     58       0.9141      0.00000
     59       1.3446      0.00000
     60       1.3678      0.00000
     61       2.1815      0.00000
     62       2.1876      0.00000
     63       2.4264      0.00000
     64       2.4344      0.00000
     65       2.6080      0.00000
     66       2.6299      0.00000
     67       2.8323      0.00000
     68       2.8578      0.00000
     69       3.5050      0.00000
     70       3.5106      0.00000
     71       3.5170      0.00000
     72       3.5233      0.00000

 k-point     8 :       0.4375    0.0000   -0.0000
  band No.  band energies     occupation 
      1     -36.3719      1.00000
      2     -36.3706      1.00000
      3     -36.2610      1.00000
      4     -36.2608      1.00000
      5     -23.9398      1.00000
      6     -23.9392      1.00000
      7     -23.9299      1.00000
      8     -23.9298      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9004      1.00000
     12     -22.9002      1.00000
     13     -22.8782      1.00000
     14     -22.8778      1.00000
     15     -19.3858      1.00000
     16     -19.3502      1.00000
     17     -19.2334      1.00000
     18     -19.2172      1.00000
     19     -18.3723      1.00000
     20     -18.3306      1.00000
     21     -18.2296      1.00000
     22     -18.2109      1.00000
     23     -18.0623      1.00000
     24     -18.0530      1.00000
     25     -17.8843      1.00000
     26     -17.8835      1.00000
     27     -14.4650      1.00000
     28     -14.4610      1.00000
     29     -14.1059      1.00000
     30     -14.1012      1.00000
     31     -12.8160      1.00000
     32     -12.8101      1.00000
     33      -9.1467      1.00000
     34      -9.1437      1.00000
     35      -6.5416      1.00000
     36      -6.5387      1.00000
     37      -5.1183      1.00000
     38      -5.0962      1.00000
     39      -4.5426      1.00000
     40      -4.5394      1.00000
     41      -3.9214      1.00000
     42      -3.9019      1.00000
     43      -3.3653      1.00000
     44      -3.3455      1.00000
     45      -3.1715      1.00000
     46      -3.1682      1.00000
     47      -2.5829      1.00000
     48      -2.5729      1.00000
     49      -2.4995      1.00000
     50      -2.4966      1.00000
     51      -2.1811      1.00000
     52      -2.1764      1.00000
     53      -0.2194      0.00000
     54      -0.1522      0.00000
     55       0.0072      0.00000
     56       0.0107      0.00000
     57       0.8656      0.00000
     58       0.8849      0.00000
     59       1.1257      0.00000
     60       1.1455      0.00000
     61       2.1178      0.00000
     62       2.1199      0.00000
     63       2.4385      0.00000
     64       2.4423      0.00000
     65       2.6311      0.00000
     66       2.6427      0.00000
     67       3.1460      0.00000
     68       3.1719      0.00000
     69       3.5800      0.00000
     70       3.5977      0.00000
     71       3.7621      0.00000
     72       3.7673      0.00000

 k-point     9 :       0.5000    0.0000   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9397      1.00000
      6     -23.9397      1.00000
      7     -23.9297      1.00000
      8     -23.9296      1.00000
      9     -22.9226      1.00000
     10     -22.9226      1.00000
     11     -22.9003      1.00000
     12     -22.9002      1.00000
     13     -22.8773      1.00000
     14     -22.8772      1.00000
     15     -19.3739      1.00000
     16     -19.3731      1.00000
     17     -19.2330      1.00000
     18     -19.2328      1.00000
     19     -18.3563      1.00000
     20     -18.3553      1.00000
     21     -18.2258      1.00000
     22     -18.2256      1.00000
     23     -18.0626      1.00000
     24     -18.0622      1.00000
     25     -17.8859      1.00000
     26     -17.8856      1.00000
     27     -14.3858      1.00000
     28     -14.3856      1.00000
     29     -14.1087      1.00000
     30     -14.1085      1.00000
     31     -12.8075      1.00000
     32     -12.8059      1.00000
     33      -9.2188      1.00000
     34      -9.2186      1.00000
     35      -6.6152      1.00000
     36      -6.6150      1.00000
     37      -5.1012      1.00000
     38      -5.1011      1.00000
     39      -4.5738      1.00000
     40      -4.5737      1.00000
     41      -3.9412      1.00000
     42      -3.9407      1.00000
     43      -3.3593      1.00000
     44      -3.3584      1.00000
     45      -3.1818      1.00000
     46      -3.1816      1.00000
     47      -2.5412      1.00000
     48      -2.5399      1.00000
     49      -2.4875      1.00000
     50      -2.4868      1.00000
     51      -2.2494      1.00000
     52      -2.2492      1.00000
     53      -0.0527      0.00000
     54      -0.0390      0.00000
     55      -0.0152      0.00000
     56       0.0039      0.00000
     57       0.8801      0.00000
     58       0.8804      0.00000
     59       0.9723      0.00000
     60       1.0078      0.00000
     61       2.0944      0.00000
     62       2.0964      0.00000
     63       2.4418      0.00000
     64       2.4421      0.00000
     65       2.6088      0.00000
     66       2.6107      0.00000
     67       3.2965      0.00000
     68       3.3088      0.00000
     69       3.7306      0.00000
     70       3.7610      0.00000
     71       3.8670      0.00000
     72       3.8743      0.00000

 k-point    10 :      -0.4375    0.0000    0.0000
  band No.  band energies     occupation 
      1     -36.3719      1.00000
      2     -36.3706      1.00000
      3     -36.2610      1.00000
      4     -36.2608      1.00000
      5     -23.9399      1.00000
      6     -23.9391      1.00000
      7     -23.9299      1.00000
      8     -23.9298      1.00000
      9     -22.9225      1.00000
     10     -22.9213      1.00000
     11     -22.9004      1.00000
     12     -22.9003      1.00000
     13     -22.8782      1.00000
     14     -22.8778      1.00000
     15     -19.3865      1.00000
     16     -19.3495      1.00000
     17     -19.2333      1.00000
     18     -19.2173      1.00000
     19     -18.3714      1.00000
     20     -18.3315      1.00000
     21     -18.2295      1.00000
     22     -18.2109      1.00000
     23     -18.0622      1.00000
     24     -18.0532      1.00000
     25     -17.8844      1.00000
     26     -17.8834      1.00000
     27     -14.4649      1.00000
     28     -14.4611      1.00000
     29     -14.1059      1.00000
     30     -14.1012      1.00000
     31     -12.8174      1.00000
     32     -12.8086      1.00000
     33      -9.1467      1.00000
     34      -9.1437      1.00000
     35      -6.5416      1.00000
     36      -6.5388      1.00000
     37      -5.1183      1.00000
     38      -5.0962      1.00000
     39      -4.5427      1.00000
     40      -4.5394      1.00000
     41      -3.9218      1.00000
     42      -3.9015      1.00000
     43      -3.3662      1.00000
     44      -3.3446      1.00000
     45      -3.1714      1.00000
     46      -3.1684      1.00000
     47      -2.5815      1.00000
     48      -2.5744      1.00000
     49      -2.4986      1.00000
     50      -2.4975      1.00000
     51      -2.1811      1.00000
     52      -2.1765      1.00000
     53      -0.1973      0.00000
     54      -0.1745      0.00000
     55       0.0082      0.00000
     56       0.0097      0.00000
     57       0.8667      0.00000
     58       0.8833      0.00000
     59       1.1071      0.00000
     60       1.1645      0.00000
     61       2.1174      0.00000
     62       2.1202      0.00000
     63       2.4383      0.00000
     64       2.4426      0.00000
     65       2.6332      0.00000
     66       2.6404      0.00000
     67       3.1514      0.00000
     68       3.1668      0.00000
     69       3.5816      0.00000
     70       3.5962      0.00000
     71       3.7577      0.00000
     72       3.7716      0.00000

 k-point    11 :      -0.3750   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -36.3767      1.00000
      2     -36.3754      1.00000
      3     -36.2629      1.00000
      4     -36.2627      1.00000
      5     -23.9396      1.00000
      6     -23.9384      1.00000
      7     -23.9305      1.00000
      8     -23.9303      1.00000
      9     -22.9213      1.00000
     10     -22.9190      1.00000
     11     -22.9006      1.00000
     12     -22.9005      1.00000
     13     -22.8804      1.00000
     14     -22.8797      1.00000
     15     -19.3877      1.00000
     16     -19.3238      1.00000
     17     -19.2138      1.00000
     18     -19.1888      1.00000
     19     -18.3779      1.00000
     20     -18.3041      1.00000
     21     -18.2184      1.00000
     22     -18.1849      1.00000
     23     -18.0520      1.00000
     24     -18.0334      1.00000
     25     -17.8801      1.00000
     26     -17.8779      1.00000
     27     -14.6449      1.00000
     28     -14.6379      1.00000
     29     -14.1283      1.00000
     30     -14.1193      1.00000
     31     -12.8388      1.00000
     32     -12.8238      1.00000
     33      -8.9551      1.00000
     34      -8.9505      1.00000
     35      -6.3255      1.00000
     36      -6.3204      1.00000
     37      -5.1053      1.00000
     38      -5.0650      1.00000
     39      -4.4431      1.00000
     40      -4.4353      1.00000
     41      -3.8918      1.00000
     42      -3.8505      1.00000
     43      -3.3520      1.00000
     44      -3.3267      1.00000
     45      -3.1316      1.00000
     46      -3.1296      1.00000
     47      -2.6860      1.00000
     48      -2.6721      1.00000
     49      -2.5200      1.00000
     50      -2.5187      1.00000
     51      -1.9886      1.00000
     52      -1.9822      1.00000
     53      -0.5201      0.00000
     54      -0.4953      0.00000
     55       0.1173      0.00000
     56       0.1225      0.00000
     57       0.8765      0.00000
     58       0.9135      0.00000
     59       1.3293      0.00000
     60       1.3833      0.00000
     61       2.1835      0.00000
     62       2.1855      0.00000
     63       2.4260      0.00000
     64       2.4349      0.00000
     65       2.6135      0.00000
     66       2.6242      0.00000
     67       2.8398      0.00000
     68       2.8504      0.00000
     69       3.5031      0.00000
     70       3.5060      0.00000
     71       3.5209      0.00000
     72       3.5261      0.00000

 k-point    12 :      -0.3125   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -36.3839      1.00000
      2     -36.3826      1.00000
      3     -36.2659      1.00000
      4     -36.2657      1.00000
      5     -23.9391      1.00000
      6     -23.9377      1.00000
      7     -23.9314      1.00000
      8     -23.9309      1.00000
      9     -22.9192      1.00000
     10     -22.9160      1.00000
     11     -22.9008      1.00000
     12     -22.9006      1.00000
     13     -22.8834      1.00000
     14     -22.8827      1.00000
     15     -19.3818      1.00000
     16     -19.3082      1.00000
     17     -19.1717      1.00000
     18     -19.1504      1.00000
     19     -18.3753      1.00000
     20     -18.2871      1.00000
     21     -18.1823      1.00000
     22     -18.1476      1.00000
     23     -18.0301      1.00000
     24     -18.0023      1.00000
     25     -17.8748      1.00000
     26     -17.8703      1.00000
     27     -14.8621      1.00000
     28     -14.8534      1.00000
     29     -14.1934      1.00000
     30     -14.1811      1.00000
     31     -12.8695      1.00000
     32     -12.8503      1.00000
     33      -8.7155      1.00000
     34      -8.7118      1.00000
     35      -5.9804      1.00000
     36      -5.9767      1.00000
     37      -4.9844      1.00000
     38      -4.9283      1.00000
     39      -4.2806      1.00000
     40      -4.2627      1.00000
     41      -3.9032      1.00000
     42      -3.8419      1.00000
     43      -3.3375      1.00000
     44      -3.3199      1.00000
     45      -3.0705      1.00000
     46      -3.0695      1.00000
     47      -2.8060      1.00000
     48      -2.7807      1.00000
     49      -2.5494      1.00000
     50      -2.5480      1.00000
     51      -1.6981      1.00000
     52      -1.6932      1.00000
     53      -0.8538      0.00000
     54      -0.8293      0.00000
     55       0.2920      0.00000
     56       0.2972      0.00000
     57       0.9018      0.00000
     58       0.9488      0.00000
     59       1.4842      0.00000
     60       1.5203      0.00000
     61       2.1843      0.00000
     62       2.2045      0.00000
     63       2.3044      0.00000
     64       2.3321      0.00000
     65       2.4102      0.00000
     66       2.4414      0.00000
     67       2.8454      0.00000
     68       2.8508      0.00000
     69       3.1635      0.00000
     70       3.1700      0.00000
     71       3.2028      0.00000
     72       3.2143      0.00000

 k-point    13 :      -0.2500    0.0000    0.0000
  band No.  band energies     occupation 
      1     -36.3922      1.00000
      2     -36.3909      1.00000
      3     -36.2695      1.00000
      4     -36.2692      1.00000
      5     -23.9385      1.00000
      6     -23.9374      1.00000
      7     -23.9322      1.00000
      8     -23.9313      1.00000
      9     -22.9169      1.00000
     10     -22.9132      1.00000
     11     -22.9008      1.00000
     12     -22.9003      1.00000
     13     -22.8866      1.00000
     14     -22.8860      1.00000
     15     -19.3732      1.00000
     16     -19.3045      1.00000
     17     -19.1173      1.00000
     18     -19.1069      1.00000
     19     -18.3649      1.00000
     20     -18.2818      1.00000
     21     -18.1243      1.00000
     22     -18.1007      1.00000
     23     -17.9966      1.00000
     24     -17.9612      1.00000
     25     -17.8705      1.00000
     26     -17.8620      1.00000
     27     -15.0780      1.00000
     28     -15.0686      1.00000
     29     -14.2869      1.00000
     30     -14.2729      1.00000
     31     -12.9071      1.00000
     32     -12.8864      1.00000
     33      -8.5091      1.00000
     34      -8.5082      1.00000
     35      -5.5202      1.00000
     36      -5.5121      1.00000
     37      -4.7164      1.00000
     38      -4.6451      1.00000
     39      -4.1045      1.00000
     40      -4.0336      1.00000
     41      -3.9043      1.00000
     42      -3.8584      1.00000
     43      -3.3825      1.00000
     44      -3.3713      1.00000
     45      -3.0081      1.00000
     46      -3.0024      1.00000
     47      -2.8640      1.00000
     48      -2.8335      1.00000
     49      -2.5820      1.00000
     50      -2.5801      1.00000
     51      -1.3684      0.00036
     52      -1.3626      0.00019
     53      -1.1571      0.00000
     54      -1.1330      0.00000
     55       0.5120      0.00000
     56       0.5132      0.00000
     57       0.9228      0.00000
     58       0.9594      0.00000
     59       1.4526      0.00000
     60       1.4654      0.00000
     61       2.0239      0.00000
     62       2.0415      0.00000
     63       2.2365      0.00000
     64       2.2529      0.00000
     65       2.3904      0.00000
     66       2.4276      0.00000
     67       2.6407      0.00000
     68       2.6536      0.00000
     69       2.8430      0.00000
     70       2.8520      0.00000
     71       2.8982      0.00000
     72       2.9179      0.00000

 k-point    14 :      -0.1875   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -36.4004      1.00000
      2     -36.3992      1.00000
      3     -36.2731      1.00000
      4     -36.2729      1.00000
      5     -23.9382      1.00000
      6     -23.9377      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9152      1.00000
     10     -22.9119      1.00000
     11     -22.9000      1.00000
     12     -22.8994      1.00000
     13     -22.8893      1.00000
     14     -22.8890      1.00000
     15     -19.3649      1.00000
     16     -19.3089      1.00000
     17     -19.0649      1.00000
     18     -19.0643      1.00000
     19     -18.3487      1.00000
     20     -18.2814      1.00000
     21     -18.0589      1.00000
     22     -18.0483      1.00000
     23     -17.9559      1.00000
     24     -17.9153      1.00000
     25     -17.8681      1.00000
     26     -17.8534      1.00000
     27     -15.2665      1.00000
     28     -15.2578      1.00000
     29     -14.3869      1.00000
     30     -14.3731      1.00000
     31     -12.9479      1.00000
     32     -12.9286      1.00000
     33      -8.3816      1.00000
     34      -8.3800      1.00000
     35      -4.9846      1.00000
     36      -4.9349      1.00000
     37      -4.3581      1.00000
     38      -4.3057      1.00000
     39      -4.0270      1.00000
     40      -3.8423      1.00000
     41      -3.7508      1.00000
     42      -3.7165      1.00000
     43      -3.4398      1.00000
     44      -3.4364      1.00000
     45      -2.9612      1.00000
     46      -2.9455      1.00000
     47      -2.8645      1.00000
     48      -2.8421      1.00000
     49      -2.6052      1.00000
     50      -2.6029      1.00000
     51      -1.4509      0.14587
     52      -1.4245      0.03588
     53      -1.0924      0.00000
     54      -1.0691      0.00000
     55       0.6455      0.00000
     56       0.6761      0.00000
     57       1.0185      0.00000
     58       1.0369      0.00000
     59       1.2195      0.00000
     60       1.2321      0.00000
     61       1.8331      0.00000
     62       1.8618      0.00000
     63       2.0942      0.00000
     64       2.1268      0.00000
     65       2.3204      0.00000
     66       2.3316      0.00000
     67       2.4004      0.00000
     68       2.4261      0.00000
     69       2.5994      0.00000
     70       2.6094      0.00000
     71       2.6550      0.00000
     72       2.6702      0.00000

 k-point    15 :      -0.1250    0.0000    0.0000
  band No.  band energies     occupation 
      1     -36.4073      1.00000
      2     -36.4061      1.00000
      3     -36.2763      1.00000
      4     -36.2760      1.00000
      5     -23.9385      1.00000
      6     -23.9383      1.00000
      7     -23.9326      1.00000
      8     -23.9313      1.00000
      9     -22.9144      1.00000
     10     -22.9123      1.00000
     11     -22.8983      1.00000
     12     -22.8980      1.00000
     13     -22.8913      1.00000
     14     -22.8913      1.00000
     15     -19.3574      1.00000
     16     -19.3182      1.00000
     17     -19.0285      1.00000
     18     -19.0243      1.00000
     19     -18.3301      1.00000
     20     -18.2838      1.00000
     21     -17.9983      1.00000
     22     -17.9970      1.00000
     23     -17.9203      1.00000
     24     -17.8865      1.00000
     25     -17.8557      1.00000
     26     -17.8418      1.00000
     27     -15.4108      1.00000
     28     -15.4040      1.00000
     29     -14.4732      1.00000
     30     -14.4620      1.00000
     31     -12.9856      1.00000
     32     -12.9704      1.00000
     33      -8.3231      1.00000
     34      -8.3205      1.00000
     35      -4.5727      1.00000
     36      -4.4371      1.00000
     37      -4.1263      1.00000
     38      -3.9788      1.00000
     39      -3.7279      1.00000
     40      -3.6554      1.00000
     41      -3.5006      1.00000
     42      -3.4776      1.00000
     43      -3.3589      1.00000
     44      -3.3349      1.00000
     45      -2.9311      1.00000
     46      -2.9220      1.00000
     47      -2.8554      1.00000
     48      -2.8419      1.00000
     49      -2.6126      1.00000
     50      -2.6108      1.00000
     51      -1.6877      1.00000
     52      -1.6631      1.00000
     53      -1.0839      0.00000
     54      -1.0426      0.00000
     55       0.6191      0.00000
     56       0.6780      0.00000
     57       0.9118      0.00000
     58       0.9393      0.00000
     59       1.2914      0.00000
     60       1.3259      0.00000
     61       1.5129      0.00000
     62       1.5223      0.00000
     63       1.8693      0.00000
     64       1.8743      0.00000
     65       2.0019      0.00000
     66       2.0118      0.00000
     67       2.3714      0.00000
     68       2.3733      0.00000
     69       2.4933      0.00000
     70       2.4952      0.00000
     71       2.5515      0.00000
     72       2.5538      0.00000

 k-point    16 :      -0.0625    0.0000    0.0000
  band No.  band energies     occupation 
      1     -36.4119      1.00000
      2     -36.4107      1.00000
      3     -36.2784      1.00000
      4     -36.2781      1.00000
      5     -23.9389      1.00000
      6     -23.9389      1.00000
      7     -23.9321      1.00000
      8     -23.9313      1.00000
      9     -22.9142      1.00000
     10     -22.9132      1.00000
     11     -22.8968      1.00000
     12     -22.8967      1.00000
     13     -22.8926      1.00000
     14     -22.8925      1.00000
     15     -19.3498      1.00000
     16     -19.3294      1.00000
     17     -19.0039      1.00000
     18     -19.0002      1.00000
     19     -18.3125      1.00000
     20     -18.2892      1.00000
     21     -17.9529      1.00000
     22     -17.9512      1.00000
     23     -17.9068      1.00000
     24     -17.8944      1.00000
     25     -17.8266      1.00000
     26     -17.8246      1.00000
     27     -15.5004      1.00000
     28     -15.4966      1.00000
     29     -14.5301      1.00000
     30     -14.5238      1.00000
     31     -13.0116      1.00000
     32     -13.0026      1.00000
     33      -8.3029      1.00000
     34      -8.3010      1.00000
     35      -4.4865      1.00000
     36      -4.4355      1.00000
     37      -3.6838      1.00000
     38      -3.5607      1.00000
     39      -3.4736      1.00000
     40      -3.4430      1.00000
     41      -3.2956      1.00000
     42      -3.2895      1.00000
     43      -3.0686      1.00000
     44      -3.0660      1.00000
     45      -2.9218      1.00000
     46      -2.9072      1.00000
     47      -2.7761      1.00000
     48      -2.7671      1.00000
     49      -2.6134      1.00000
     50      -2.6130      1.00000
     51      -1.9002      1.00000
     52      -1.8797      1.00000
     53      -1.3150      0.00000
     54      -1.2830      0.00000
     55       0.3371      0.00000
     56       0.3632      0.00000
     57       0.7164      0.00000
     58       0.7577      0.00000
     59       1.4064      0.00000
     60       1.4225      0.00000
     61       1.5663      0.00000
     62       1.6116      0.00000
     63       1.6998      0.00000
     64       1.7288      0.00000
     65       1.8856      0.00000
     66       1.8944      0.00000
     67       2.2536      0.00000
     68       2.2601      0.00000
     69       2.3820      0.00000
     70       2.3856      0.00000
     71       2.4617      0.00000
     72       2.4633      0.00000

 k-point    17 :      -0.0000    0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.4119      1.00000
      2     -36.4107      1.00000
      3     -36.2784      1.00000
      4     -36.2781      1.00000
      5     -23.9389      1.00000
      6     -23.9389      1.00000
      7     -23.9321      1.00000
      8     -23.9313      1.00000
      9     -22.9142      1.00000
     10     -22.9132      1.00000
     11     -22.8968      1.00000
     12     -22.8967      1.00000
     13     -22.8926      1.00000
     14     -22.8925      1.00000
     15     -19.3495      1.00000
     16     -19.3297      1.00000
     17     -19.0038      1.00000
     18     -19.0003      1.00000
     19     -18.3127      1.00000
     20     -18.2890      1.00000
     21     -17.9529      1.00000
     22     -17.9511      1.00000
     23     -17.9069      1.00000
     24     -17.8943      1.00000
     25     -17.8266      1.00000
     26     -17.8246      1.00000
     27     -15.5003      1.00000
     28     -15.4966      1.00000
     29     -14.5300      1.00000
     30     -14.5238      1.00000
     31     -13.0108      1.00000
     32     -13.0034      1.00000
     33      -8.3028      1.00000
     34      -8.3011      1.00000
     35      -4.4868      1.00000
     36      -4.4352      1.00000
     37      -3.6833      1.00000
     38      -3.5622      1.00000
     39      -3.4738      1.00000
     40      -3.4419      1.00000
     41      -3.2958      1.00000
     42      -3.2893      1.00000
     43      -3.0687      1.00000
     44      -3.0658      1.00000
     45      -2.9217      1.00000
     46      -2.9073      1.00000
     47      -2.7754      1.00000
     48      -2.7676      1.00000
     49      -2.6136      1.00000
     50      -2.6128      1.00000
     51      -1.9096      1.00000
     52      -1.8702      1.00000
     53      -1.3169      0.00000
     54      -1.2813      0.00000
     55       0.3374      0.00000
     56       0.3625      0.00000
     57       0.7208      0.00000
     58       0.7536      0.00000
     59       1.4048      0.00000
     60       1.4240      0.00000
     61       1.5686      0.00000
     62       1.6102      0.00000
     63       1.6985      0.00000
     64       1.7292      0.00000
     65       1.8834      0.00000
     66       1.8970      0.00000
     67       2.2522      0.00000
     68       2.2615      0.00000
     69       2.3820      0.00000
     70       2.3855      0.00000
     71       2.4609      0.00000
     72       2.4640      0.00000

 k-point    18 :       0.0625    0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.4088      1.00000
      2     -36.4076      1.00000
      3     -36.2770      1.00000
      4     -36.2767      1.00000
      5     -23.9387      1.00000
      6     -23.9384      1.00000
      7     -23.9324      1.00000
      8     -23.9313      1.00000
      9     -22.9144      1.00000
     10     -22.9125      1.00000
     11     -22.8979      1.00000
     12     -22.8976      1.00000
     13     -22.8919      1.00000
     14     -22.8916      1.00000
     15     -19.3549      1.00000
     16     -19.3217      1.00000
     17     -19.0205      1.00000
     18     -19.0163      1.00000
     19     -18.3255      1.00000
     20     -18.2846      1.00000
     21     -17.9865      1.00000
     22     -17.9820      1.00000
     23     -17.9141      1.00000
     24     -17.8855      1.00000
     25     -17.8486      1.00000
     26     -17.8373      1.00000
     27     -15.4405      1.00000
     28     -15.4344      1.00000
     29     -14.4918      1.00000
     30     -14.4818      1.00000
     31     -12.9929      1.00000
     32     -12.9815      1.00000
     33      -8.3150      1.00000
     34      -8.3125      1.00000
     35      -4.5218      1.00000
     36      -4.4070      1.00000
     37      -3.9523      1.00000
     38      -3.7659      1.00000
     39      -3.7557      1.00000
     40      -3.7260      1.00000
     41      -3.5163      1.00000
     42      -3.4610      1.00000
     43      -3.1102      1.00000
     44      -3.0750      1.00000
     45      -3.0060      1.00000
     46      -2.9852      1.00000
     47      -2.8438      1.00000
     48      -2.8339      1.00000
     49      -2.6416      1.00000
     50      -2.6369      1.00000
     51      -1.7578      1.00000
     52      -1.7065      1.00000
     53      -1.1296      0.00000
     54      -1.0831      0.00000
     55       0.6513      0.00000
     56       0.6938      0.00000
     57       0.8037      0.00000
     58       0.8389      0.00000
     59       1.3337      0.00000
     60       1.3811      0.00000
     61       1.4271      0.00000
     62       1.4497      0.00000
     63       1.7852      0.00000
     64       1.8904      0.00000
     65       1.9315      0.00000
     66       1.9840      0.00000
     67       2.3199      0.00000
     68       2.3290      0.00000
     69       2.3893      0.00000
     70       2.4001      0.00000
     71       2.5822      0.00000
     72       2.6122      0.00000

 k-point    19 :       0.1250    0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.4031      1.00000
      2     -36.4018      1.00000
      3     -36.2743      1.00000
      4     -36.2741      1.00000
      5     -23.9384      1.00000
      6     -23.9377      1.00000
      7     -23.9328      1.00000
      8     -23.9314      1.00000
      9     -22.9149      1.00000
     10     -22.9118      1.00000
     11     -22.8995      1.00000
     12     -22.8988      1.00000
     13     -22.8903      1.00000
     14     -22.8899      1.00000
     15     -19.3615      1.00000
     16     -19.3123      1.00000
     17     -19.0505      1.00000
     18     -19.0487      1.00000
     19     -18.3425      1.00000
     20     -18.2816      1.00000
     21     -18.0398      1.00000
     22     -18.0275      1.00000
     23     -17.9407      1.00000
     24     -17.8970      1.00000
     25     -17.8706      1.00000
     26     -17.8503      1.00000
     27     -15.3233      1.00000
     28     -15.3151      1.00000
     29     -14.4199      1.00000
     30     -14.4067      1.00000
     31     -12.9608      1.00000
     32     -12.9449      1.00000
     33      -8.3539      1.00000
     34      -8.3516      1.00000
     35      -4.7500      1.00000
     36      -4.6455      1.00000
     37      -4.3169      1.00000
     38      -4.2481      1.00000
     39      -4.1093      1.00000
     40      -3.9190      1.00000
     41      -3.5466      1.00000
     42      -3.5231      1.00000
     43      -3.3443      1.00000
     44      -3.3224      1.00000
     45      -3.0641      1.00000
     46      -3.0287      1.00000
     47      -2.8598      1.00000
     48      -2.8277      1.00000
     49      -2.6395      1.00000
     50      -2.6370      1.00000
     51      -1.5476      0.95358
     52      -1.4937      0.56287
     53      -1.0220      0.00000
     54      -0.9814      0.00000
     55       0.7756      0.00000
     56       0.8340      0.00000
     57       1.0562      0.00000
     58       1.0785      0.00000
     59       1.1759      0.00000
     60       1.2130      0.00000
     61       1.5176      0.00000
     62       1.5737      0.00000
     63       1.9313      0.00000
     64       2.0543      0.00000
     65       2.1391      0.00000
     66       2.1581      0.00000
     67       2.3970      0.00000
     68       2.4468      0.00000
     69       2.5538      0.00000
     70       2.5767      0.00000
     71       2.6766      0.00000
     72       2.6930      0.00000

 k-point    20 :       0.1875    0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.3955      1.00000
      2     -36.3942      1.00000
      3     -36.2709      1.00000
      4     -36.2707      1.00000
      5     -23.9385      1.00000
      6     -23.9371      1.00000
      7     -23.9326      1.00000
      8     -23.9314      1.00000
      9     -22.9162      1.00000
     10     -22.9122      1.00000
     11     -22.9007      1.00000
     12     -22.8999      1.00000
     13     -22.8880      1.00000
     14     -22.8874      1.00000
     15     -19.3691      1.00000
     16     -19.3057      1.00000
     17     -19.0954      1.00000
     18     -19.0890      1.00000
     19     -18.3592      1.00000
     20     -18.2807      1.00000
     21     -18.1038      1.00000
     22     -18.0780      1.00000
     23     -17.9789      1.00000
     24     -17.9410      1.00000
     25     -17.8723      1.00000
     26     -17.8606      1.00000
     27     -15.1565      1.00000
     28     -15.1471      1.00000
     29     -14.3263      1.00000
     30     -14.3120      1.00000
     31     -12.9217      1.00000
     32     -12.9031      1.00000
     33      -8.4464      1.00000
     34      -8.4451      1.00000
     35      -5.2430      1.00000
     36      -5.2203      1.00000
     37      -4.6896      1.00000
     38      -4.6071      1.00000
     39      -4.1494      1.00000
     40      -3.9824      1.00000
     41      -3.7668      1.00000
     42      -3.6832      1.00000
     43      -3.4114      1.00000
     44      -3.4063      1.00000
     45      -3.1155      1.00000
     46      -3.0758      1.00000
     47      -2.8625      1.00000
     48      -2.8228      1.00000
     49      -2.6161      1.00000
     50      -2.6118      1.00000
     51      -1.3011      0.00000
     52      -1.2501      0.00000
     53      -1.1392      0.00000
     54      -1.1131      0.00000
     55       0.6554      0.00000
     56       0.6747      0.00000
     57       1.0405      0.00000
     58       1.0549      0.00000
     59       1.3798      0.00000
     60       1.4255      0.00000
     61       1.8349      0.00000
     62       1.9039      0.00000
     63       1.9615      0.00000
     64       1.9912      0.00000
     65       2.3817      0.00000
     66       2.4510      0.00000
     67       2.4962      0.00000
     68       2.5272      0.00000
     69       2.7718      0.00000
     70       2.8119      0.00000
     71       2.8640      0.00000
     72       2.9072      0.00000

 k-point    21 :       0.2500    0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.3872      1.00000
      2     -36.3859      1.00000
      3     -36.2673      1.00000
      4     -36.2671      1.00000
      5     -23.9389      1.00000
      6     -23.9371      1.00000
      7     -23.9320      1.00000
      8     -23.9311      1.00000
      9     -22.9182      1.00000
     10     -22.9142      1.00000
     11     -22.9010      1.00000
     12     -22.9005      1.00000
     13     -22.8850      1.00000
     14     -22.8844      1.00000
     15     -19.3777      1.00000
     16     -19.3051      1.00000
     17     -19.1488      1.00000
     18     -19.1315      1.00000
     19     -18.3723      1.00000
     20     -18.2827      1.00000
     21     -18.1675      1.00000
     22     -18.1255      1.00000
     23     -18.0159      1.00000
     24     -17.9853      1.00000
     25     -17.8756      1.00000
     26     -17.8702      1.00000
     27     -14.9534      1.00000
     28     -14.9441      1.00000
     29     -14.2289      1.00000
     30     -14.2154      1.00000
     31     -12.8831      1.00000
     32     -12.8640      1.00000
     33      -8.6154      1.00000
     34      -8.6123      1.00000
     35      -5.7457      1.00000
     36      -5.7402      1.00000
     37      -4.9660      1.00000
     38      -4.8900      1.00000
     39      -4.2881      1.00000
     40      -4.1716      1.00000
     41      -3.8896      1.00000
     42      -3.8002      1.00000
     43      -3.3655      1.00000
     44      -3.3384      1.00000
     45      -3.1452      1.00000
     46      -3.1352      1.00000
     47      -2.8466      1.00000
     48      -2.8129      1.00000
     49      -2.5829      1.00000
     50      -2.5784      1.00000
     51      -1.4338      0.06220
     52      -1.4172      0.02241
     53      -0.9951      0.00000
     54      -0.9311      0.00000
     55       0.4242      0.00000
     56       0.4322      0.00000
     57       1.0610      0.00000
     58       1.1003      0.00000
     59       1.5077      0.00000
     60       1.5211      0.00000
     61       1.9412      0.00000
     62       1.9834      0.00000
     63       2.1585      0.00000
     64       2.2315      0.00000
     65       2.3988      0.00000
     66       2.4574      0.00000
     67       2.8062      0.00000
     68       2.8424      0.00000
     69       3.0133      0.00000
     70       3.0368      0.00000
     71       3.0937      0.00000
     72       3.1137      0.00000

 k-point    22 :       0.3125    0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.3795      1.00000
      2     -36.3782      1.00000
      3     -36.2640      1.00000
      4     -36.2638      1.00000
      5     -23.9394      1.00000
      6     -23.9376      1.00000
      7     -23.9313      1.00000
      8     -23.9305      1.00000
      9     -22.9203      1.00000
     10     -22.9170      1.00000
     11     -22.9009      1.00000
     12     -22.9006      1.00000
     13     -22.8819      1.00000
     14     -22.8813      1.00000
     15     -19.3855      1.00000
     16     -19.3138      1.00000
     17     -19.1972      1.00000
     18     -19.1715      1.00000
     19     -18.3793      1.00000
     20     -18.2927      1.00000
     21     -18.2170      1.00000
     22     -18.1638      1.00000
     23     -18.0455      1.00000
     24     -18.0208      1.00000
     25     -17.8824      1.00000
     26     -17.8778      1.00000
     27     -14.7350      1.00000
     28     -14.7269      1.00000
     29     -14.1488      1.00000
     30     -14.1378      1.00000
     31     -12.8498      1.00000
     32     -12.8324      1.00000
     33      -8.8432      1.00000
     34      -8.8381      1.00000
     35      -6.1486      1.00000
     36      -6.1424      1.00000
     37      -5.1229      1.00000
     38      -5.0497      1.00000
     39      -4.5057      1.00000
     40      -4.4117      1.00000
     41      -3.8864      1.00000
     42      -3.8235      1.00000
     43      -3.3843      1.00000
     44      -3.3188      1.00000
     45      -3.1986      1.00000
     46      -3.1466      1.00000
     47      -2.7634      1.00000
     48      -2.7418      1.00000
     49      -2.5523      1.00000
     50      -2.5478      1.00000
     51      -1.7285      1.00000
     52      -1.7122      1.00000
     53      -0.6760      0.00000
     54      -0.6056      0.00000
     55       0.2322      0.00000
     56       0.2393      0.00000
     57       1.0426      0.00000
     58       1.0887      0.00000
     59       1.4073      0.00000
     60       1.4307      0.00000
     61       2.0983      0.00000
     62       2.1283      0.00000
     63       2.2820      0.00000
     64       2.3332      0.00000
     65       2.5451      0.00000
     66       2.5889      0.00000
     67       2.8809      0.00000
     68       2.8999      0.00000
     69       3.2476      0.00000
     70       3.2690      0.00000
     71       3.4370      0.00000
     72       3.4484      0.00000

 k-point    23 :       0.3750    0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.3735      1.00000
      2     -36.3722      1.00000
      3     -36.2616      1.00000
      4     -36.2614      1.00000
      5     -23.9398      1.00000
      6     -23.9384      1.00000
      7     -23.9307      1.00000
      8     -23.9298      1.00000
      9     -22.9219      1.00000
     10     -22.9196      1.00000
     11     -22.9009      1.00000
     12     -22.9003      1.00000
     13     -22.8794      1.00000
     14     -22.8789      1.00000
     15     -19.3892      1.00000
     16     -19.3339      1.00000
     17     -19.2271      1.00000
     18     -19.2040      1.00000
     19     -18.3793      1.00000
     20     -18.3164      1.00000
     21     -18.2413      1.00000
     22     -18.1894      1.00000
     23     -18.0664      1.00000
     24     -18.0428      1.00000
     25     -17.8903      1.00000
     26     -17.8829      1.00000
     27     -14.5324      1.00000
     28     -14.5268      1.00000
     29     -14.1058      1.00000
     30     -14.0984      1.00000
     31     -12.8249      1.00000
     32     -12.8105      1.00000
     33      -9.0644      1.00000
     34      -9.0592      1.00000
     35      -6.4267      1.00000
     36      -6.4220      1.00000
     37      -5.1767      1.00000
     38      -5.0957      1.00000
     39      -4.6770      1.00000
     40      -4.5716      1.00000
     41      -3.8993      1.00000
     42      -3.8582      1.00000
     43      -3.4045      1.00000
     44      -3.3298      1.00000
     45      -3.2595      1.00000
     46      -3.1876      1.00000
     47      -2.6443      1.00000
     48      -2.6305      1.00000
     49      -2.5328      1.00000
     50      -2.5235      1.00000
     51      -1.9627      1.00000
     52      -1.9458      1.00000
     53      -0.3437      0.00000
     54      -0.2715      0.00000
     55       0.1020      0.00000
     56       0.1067      0.00000
     57       1.0200      0.00000
     58       1.0524      0.00000
     59       1.2376      0.00000
     60       1.2613      0.00000
     61       2.0833      0.00000
     62       2.1156      0.00000
     63       2.3009      0.00000
     64       2.3941      0.00000
     65       2.6921      0.00000
     66       2.7216      0.00000
     67       3.0091      0.00000
     68       3.0355      0.00000
     69       3.4584      0.00000
     70       3.4737      0.00000
     71       3.6934      0.00000
     72       3.7104      0.00000

 k-point    24 :       0.4375    0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9399      1.00000
      6     -23.9390      1.00000
      7     -23.9303      1.00000
      8     -23.9294      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9008      1.00000
     12     -22.9002      1.00000
     13     -22.8780      1.00000
     14     -22.8776      1.00000
     15     -19.3863      1.00000
     16     -19.3557      1.00000
     17     -19.2361      1.00000
     18     -19.2247      1.00000
     19     -18.3730      1.00000
     20     -18.3404      1.00000
     21     -18.2489      1.00000
     22     -18.2018      1.00000
     23     -18.0778      1.00000
     24     -18.0521      1.00000
     25     -17.8951      1.00000
     26     -17.8857      1.00000
     27     -14.3942      1.00000
     28     -14.3920      1.00000
     29     -14.1027      1.00000
     30     -14.0987      1.00000
     31     -12.8114      1.00000
     32     -12.7994      1.00000
     33      -9.2002      1.00000
     34      -9.1962      1.00000
     35      -6.5701      1.00000
     36      -6.5674      1.00000
     37      -5.1826      1.00000
     38      -5.0869      1.00000
     39      -4.7680      1.00000
     40      -4.6421      1.00000
     41      -3.9258      1.00000
     42      -3.8994      1.00000
     43      -3.4082      1.00000
     44      -3.3586      1.00000
     45      -3.2752      1.00000
     46      -3.2186      1.00000
     47      -2.5721      1.00000
     48      -2.5542      1.00000
     49      -2.5247      1.00000
     50      -2.5047      1.00000
     51      -2.0923      1.00000
     52      -2.0758      1.00000
     53      -0.0773      0.00000
     54      -0.0266      0.00000
     55       0.0439      0.00000
     56       0.0503      0.00000
     57       0.9996      0.00000
     58       1.0120      0.00000
     59       1.0784      0.00000
     60       1.0833      0.00000
     61       2.0587      0.00000
     62       2.0902      0.00000
     63       2.2719      0.00000
     64       2.3737      0.00000
     65       2.6838      0.00000
     66       2.7030      0.00000
     67       3.2600      0.00000
     68       3.2771      0.00000
     69       3.6127      0.00000
     70       3.6358      0.00000
     71       3.8262      0.00000
     72       3.8526      0.00000

 k-point    25 :       0.5000    0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9399      1.00000
      6     -23.9390      1.00000
      7     -23.9303      1.00000
      8     -23.9294      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9008      1.00000
     12     -22.9002      1.00000
     13     -22.8780      1.00000
     14     -22.8776      1.00000
     15     -19.3867      1.00000
     16     -19.3553      1.00000
     17     -19.2360      1.00000
     18     -19.2248      1.00000
     19     -18.3725      1.00000
     20     -18.3409      1.00000
     21     -18.2489      1.00000
     22     -18.2018      1.00000
     23     -18.0778      1.00000
     24     -18.0522      1.00000
     25     -17.8951      1.00000
     26     -17.8857      1.00000
     27     -14.3941      1.00000
     28     -14.3920      1.00000
     29     -14.1027      1.00000
     30     -14.0987      1.00000
     31     -12.8118      1.00000
     32     -12.7990      1.00000
     33      -9.2002      1.00000
     34      -9.1961      1.00000
     35      -6.5701      1.00000
     36      -6.5674      1.00000
     37      -5.1826      1.00000
     38      -5.0869      1.00000
     39      -4.7680      1.00000
     40      -4.6421      1.00000
     41      -3.9259      1.00000
     42      -3.8993      1.00000
     43      -3.4083      1.00000
     44      -3.3586      1.00000
     45      -3.2752      1.00000
     46      -3.2186      1.00000
     47      -2.5720      1.00000
     48      -2.5544      1.00000
     49      -2.5245      1.00000
     50      -2.5049      1.00000
     51      -2.0923      1.00000
     52      -2.0758      1.00000
     53      -0.0607      0.00000
     54      -0.0429      0.00000
     55       0.0434      0.00000
     56       0.0505      0.00000
     57       0.9946      0.00000
     58       1.0115      0.00000
     59       1.0729      0.00000
     60       1.0943      0.00000
     61       2.0587      0.00000
     62       2.0901      0.00000
     63       2.2722      0.00000
     64       2.3735      0.00000
     65       2.6841      0.00000
     66       2.7027      0.00000
     67       3.2610      0.00000
     68       3.2764      0.00000
     69       3.6135      0.00000
     70       3.6352      0.00000
     71       3.8279      0.00000
     72       3.8506      0.00000

 k-point    26 :      -0.4375    0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.3735      1.00000
      2     -36.3722      1.00000
      3     -36.2616      1.00000
      4     -36.2614      1.00000
      5     -23.9398      1.00000
      6     -23.9384      1.00000
      7     -23.9307      1.00000
      8     -23.9298      1.00000
      9     -22.9218      1.00000
     10     -22.9197      1.00000
     11     -22.9009      1.00000
     12     -22.9003      1.00000
     13     -22.8794      1.00000
     14     -22.8789      1.00000
     15     -19.3898      1.00000
     16     -19.3332      1.00000
     17     -19.2270      1.00000
     18     -19.2041      1.00000
     19     -18.3785      1.00000
     20     -18.3172      1.00000
     21     -18.2412      1.00000
     22     -18.1894      1.00000
     23     -18.0665      1.00000
     24     -18.0429      1.00000
     25     -17.8903      1.00000
     26     -17.8828      1.00000
     27     -14.5324      1.00000
     28     -14.5268      1.00000
     29     -14.1058      1.00000
     30     -14.0984      1.00000
     31     -12.8259      1.00000
     32     -12.8096      1.00000
     33      -9.0644      1.00000
     34      -9.0592      1.00000
     35      -6.4267      1.00000
     36      -6.4220      1.00000
     37      -5.1767      1.00000
     38      -5.0957      1.00000
     39      -4.6770      1.00000
     40      -4.5716      1.00000
     41      -3.8995      1.00000
     42      -3.8580      1.00000
     43      -3.4046      1.00000
     44      -3.3298      1.00000
     45      -3.2594      1.00000
     46      -3.1875      1.00000
     47      -2.6431      1.00000
     48      -2.6317      1.00000
     49      -2.5323      1.00000
     50      -2.5240      1.00000
     51      -1.9627      1.00000
     52      -1.9458      1.00000
     53      -0.3184      0.00000
     54      -0.2971      0.00000
     55       0.1029      0.00000
     56       0.1059      0.00000
     57       1.0218      0.00000
     58       1.0498      0.00000
     59       1.2224      0.00000
     60       1.2773      0.00000
     61       2.0835      0.00000
     62       2.1153      0.00000
     63       2.3018      0.00000
     64       2.3934      0.00000
     65       2.6930      0.00000
     66       2.7207      0.00000
     67       3.0195      0.00000
     68       3.0254      0.00000
     69       3.4563      0.00000
     70       3.4758      0.00000
     71       3.6941      0.00000
     72       3.7098      0.00000

 k-point    27 :      -0.3750    0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.3795      1.00000
      2     -36.3782      1.00000
      3     -36.2641      1.00000
      4     -36.2638      1.00000
      5     -23.9394      1.00000
      6     -23.9376      1.00000
      7     -23.9313      1.00000
      8     -23.9305      1.00000
      9     -22.9202      1.00000
     10     -22.9171      1.00000
     11     -22.9009      1.00000
     12     -22.9006      1.00000
     13     -22.8820      1.00000
     14     -22.8813      1.00000
     15     -19.3862      1.00000
     16     -19.3132      1.00000
     17     -19.1970      1.00000
     18     -19.1717      1.00000
     19     -18.3785      1.00000
     20     -18.2935      1.00000
     21     -18.2170      1.00000
     22     -18.1638      1.00000
     23     -18.0455      1.00000
     24     -18.0210      1.00000
     25     -17.8825      1.00000
     26     -17.8777      1.00000
     27     -14.7349      1.00000
     28     -14.7269      1.00000
     29     -14.1488      1.00000
     30     -14.1378      1.00000
     31     -12.8510      1.00000
     32     -12.8311      1.00000
     33      -8.8432      1.00000
     34      -8.8381      1.00000
     35      -6.1486      1.00000
     36      -6.1425      1.00000
     37      -5.1229      1.00000
     38      -5.0497      1.00000
     39      -4.5057      1.00000
     40      -4.4117      1.00000
     41      -3.8866      1.00000
     42      -3.8233      1.00000
     43      -3.3846      1.00000
     44      -3.3186      1.00000
     45      -3.1986      1.00000
     46      -3.1465      1.00000
     47      -2.7617      1.00000
     48      -2.7434      1.00000
     49      -2.5513      1.00000
     50      -2.5488      1.00000
     51      -1.7285      1.00000
     52      -1.7122      1.00000
     53      -0.6502      0.00000
     54      -0.6318      0.00000
     55       0.2333      0.00000
     56       0.2381      0.00000
     57       1.0430      0.00000
     58       1.0883      0.00000
     59       1.3963      0.00000
     60       1.4418      0.00000
     61       2.0984      0.00000
     62       2.1280      0.00000
     63       2.2852      0.00000
     64       2.3299      0.00000
     65       2.5490      0.00000
     66       2.5858      0.00000
     67       2.8829      0.00000
     68       2.8975      0.00000
     69       3.2452      0.00000
     70       3.2716      0.00000
     71       3.4396      0.00000
     72       3.4460      0.00000

 k-point    28 :      -0.3125    0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.3872      1.00000
      2     -36.3859      1.00000
      3     -36.2673      1.00000
      4     -36.2671      1.00000
      5     -23.9389      1.00000
      6     -23.9371      1.00000
      7     -23.9321      1.00000
      8     -23.9311      1.00000
      9     -22.9181      1.00000
     10     -22.9143      1.00000
     11     -22.9010      1.00000
     12     -22.9005      1.00000
     13     -22.8850      1.00000
     14     -22.8843      1.00000
     15     -19.3784      1.00000
     16     -19.3044      1.00000
     17     -19.1486      1.00000
     18     -19.1316      1.00000
     19     -18.3715      1.00000
     20     -18.2833      1.00000
     21     -18.1677      1.00000
     22     -18.1255      1.00000
     23     -18.0159      1.00000
     24     -17.9855      1.00000
     25     -17.8757      1.00000
     26     -17.8701      1.00000
     27     -14.9533      1.00000
     28     -14.9441      1.00000
     29     -14.2289      1.00000
     30     -14.2154      1.00000
     31     -12.8844      1.00000
     32     -12.8626      1.00000
     33      -8.6154      1.00000
     34      -8.6123      1.00000
     35      -5.7457      1.00000
     36      -5.7401      1.00000
     37      -4.9660      1.00000
     38      -4.8900      1.00000
     39      -4.2881      1.00000
     40      -4.1716      1.00000
     41      -3.8898      1.00000
     42      -3.8000      1.00000
     43      -3.3662      1.00000
     44      -3.3378      1.00000
     45      -3.1451      1.00000
     46      -3.1351      1.00000
     47      -2.8454      1.00000
     48      -2.8141      1.00000
     49      -2.5822      1.00000
     50      -2.5791      1.00000
     51      -1.4337      0.06196
     52      -1.4173      0.02252
     53      -0.9722      0.00000
     54      -0.9544      0.00000
     55       0.4249      0.00000
     56       0.4314      0.00000
     57       1.0612      0.00000
     58       1.1000      0.00000
     59       1.5064      0.00000
     60       1.5228      0.00000
     61       1.9413      0.00000
     62       1.9827      0.00000
     63       2.1597      0.00000
     64       2.2309      0.00000
     65       2.3988      0.00000
     66       2.4573      0.00000
     67       2.8048      0.00000
     68       2.8439      0.00000
     69       3.0122      0.00000
     70       3.0385      0.00000
     71       3.0927      0.00000
     72       3.1141      0.00000

 k-point    29 :      -0.2500    0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.3955      1.00000
      2     -36.3942      1.00000
      3     -36.2709      1.00000
      4     -36.2707      1.00000
      5     -23.9385      1.00000
      6     -23.9371      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9162      1.00000
     10     -22.9122      1.00000
     11     -22.9007      1.00000
     12     -22.8999      1.00000
     13     -22.8880      1.00000
     14     -22.8874      1.00000
     15     -19.3698      1.00000
     16     -19.3050      1.00000
     17     -19.0952      1.00000
     18     -19.0892      1.00000
     19     -18.3585      1.00000
     20     -18.2811      1.00000
     21     -18.1041      1.00000
     22     -18.0780      1.00000
     23     -17.9789      1.00000
     24     -17.9412      1.00000
     25     -17.8723      1.00000
     26     -17.8605      1.00000
     27     -15.1564      1.00000
     28     -15.1472      1.00000
     29     -14.3263      1.00000
     30     -14.3120      1.00000
     31     -12.9231      1.00000
     32     -12.9017      1.00000
     33      -8.4464      1.00000
     34      -8.4451      1.00000
     35      -5.2430      1.00000
     36      -5.2203      1.00000
     37      -4.6896      1.00000
     38      -4.6071      1.00000
     39      -4.1495      1.00000
     40      -3.9824      1.00000
     41      -3.7668      1.00000
     42      -3.6831      1.00000
     43      -3.4130      1.00000
     44      -3.4048      1.00000
     45      -3.1154      1.00000
     46      -3.0758      1.00000
     47      -2.8618      1.00000
     48      -2.8236      1.00000
     49      -2.6155      1.00000
     50      -2.6124      1.00000
     51      -1.2842      0.00000
     52      -1.2663      0.00000
     53      -1.1381      0.00000
     54      -1.1151      0.00000
     55       0.6551      0.00000
     56       0.6751      0.00000
     57       1.0422      0.00000
     58       1.0528      0.00000
     59       1.3912      0.00000
     60       1.4140      0.00000
     61       1.8372      0.00000
     62       1.9020      0.00000
     63       1.9641      0.00000
     64       1.9886      0.00000
     65       2.3815      0.00000
     66       2.4515      0.00000
     67       2.4929      0.00000
     68       2.5307      0.00000
     69       2.7711      0.00000
     70       2.8126      0.00000
     71       2.8629      0.00000
     72       2.9080      0.00000

 k-point    30 :      -0.1875    0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.4031      1.00000
      2     -36.4018      1.00000
      3     -36.2743      1.00000
      4     -36.2741      1.00000
      5     -23.9384      1.00000
      6     -23.9377      1.00000
      7     -23.9328      1.00000
      8     -23.9313      1.00000
      9     -22.9149      1.00000
     10     -22.9118      1.00000
     11     -22.8995      1.00000
     12     -22.8988      1.00000
     13     -22.8903      1.00000
     14     -22.8899      1.00000
     15     -19.3622      1.00000
     16     -19.3116      1.00000
     17     -19.0506      1.00000
     18     -19.0485      1.00000
     19     -18.3419      1.00000
     20     -18.2820      1.00000
     21     -18.0400      1.00000
     22     -18.0275      1.00000
     23     -17.9406      1.00000
     24     -17.8972      1.00000
     25     -17.8706      1.00000
     26     -17.8503      1.00000
     27     -15.3233      1.00000
     28     -15.3151      1.00000
     29     -14.4199      1.00000
     30     -14.4067      1.00000
     31     -12.9621      1.00000
     32     -12.9435      1.00000
     33      -8.3539      1.00000
     34      -8.3516      1.00000
     35      -4.7499      1.00000
     36      -4.6456      1.00000
     37      -4.3170      1.00000
     38      -4.2482      1.00000
     39      -4.1093      1.00000
     40      -3.9190      1.00000
     41      -3.5463      1.00000
     42      -3.5230      1.00000
     43      -3.3452      1.00000
     44      -3.3220      1.00000
     45      -3.0640      1.00000
     46      -3.0287      1.00000
     47      -2.8592      1.00000
     48      -2.8284      1.00000
     49      -2.6386      1.00000
     50      -2.6379      1.00000
     51      -1.5309      0.88683
     52      -1.5107      0.73823
     53      -1.0219      0.00000
     54      -0.9815      0.00000
     55       0.7731      0.00000
     56       0.8378      0.00000
     57       1.0522      0.00000
     58       1.0819      0.00000
     59       1.1785      0.00000
     60       1.2092      0.00000
     61       1.5222      0.00000
     62       1.5697      0.00000
     63       1.9312      0.00000
     64       2.0543      0.00000
     65       2.1398      0.00000
     66       2.1576      0.00000
     67       2.3966      0.00000
     68       2.4473      0.00000
     69       2.5532      0.00000
     70       2.5772      0.00000
     71       2.6743      0.00000
     72       2.6952      0.00000

 k-point    31 :      -0.1250    0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.4088      1.00000
      2     -36.4076      1.00000
      3     -36.2770      1.00000
      4     -36.2767      1.00000
      5     -23.9387      1.00000
      6     -23.9384      1.00000
      7     -23.9325      1.00000
      8     -23.9312      1.00000
      9     -22.9143      1.00000
     10     -22.9125      1.00000
     11     -22.8979      1.00000
     12     -22.8976      1.00000
     13     -22.8918      1.00000
     14     -22.8916      1.00000
     15     -19.3555      1.00000
     16     -19.3211      1.00000
     17     -19.0207      1.00000
     18     -19.0161      1.00000
     19     -18.3250      1.00000
     20     -18.2849      1.00000
     21     -17.9866      1.00000
     22     -17.9821      1.00000
     23     -17.9139      1.00000
     24     -17.8857      1.00000
     25     -17.8486      1.00000
     26     -17.8373      1.00000
     27     -15.4405      1.00000
     28     -15.4344      1.00000
     29     -14.4918      1.00000
     30     -14.4818      1.00000
     31     -12.9941      1.00000
     32     -12.9802      1.00000
     33      -8.3150      1.00000
     34      -8.3125      1.00000
     35      -4.5214      1.00000
     36      -4.4074      1.00000
     37      -3.9522      1.00000
     38      -3.7662      1.00000
     39      -3.7553      1.00000
     40      -3.7261      1.00000
     41      -3.5138      1.00000
     42      -3.4635      1.00000
     43      -3.1104      1.00000
     44      -3.0747      1.00000
     45      -3.0062      1.00000
     46      -2.9853      1.00000
     47      -2.8429      1.00000
     48      -2.8348      1.00000
     49      -2.6415      1.00000
     50      -2.6370      1.00000
     51      -1.7398      1.00000
     52      -1.7249      1.00000
     53      -1.1283      0.00000
     54      -1.0840      0.00000
     55       0.6511      0.00000
     56       0.6975      0.00000
     57       0.7937      0.00000
     58       0.8454      0.00000
     59       1.3364      0.00000
     60       1.3805      0.00000
     61       1.4280      0.00000
     62       1.4461      0.00000
     63       1.7868      0.00000
     64       1.8900      0.00000
     65       1.9308      0.00000
     66       1.9842      0.00000
     67       2.3205      0.00000
     68       2.3283      0.00000
     69       2.3896      0.00000
     70       2.4000      0.00000
     71       2.5823      0.00000
     72       2.6121      0.00000

 k-point    32 :      -0.0625    0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.4119      1.00000
      2     -36.4107      1.00000
      3     -36.2784      1.00000
      4     -36.2781      1.00000
      5     -23.9389      1.00000
      6     -23.9389      1.00000
      7     -23.9321      1.00000
      8     -23.9313      1.00000
      9     -22.9142      1.00000
     10     -22.9133      1.00000
     11     -22.8968      1.00000
     12     -22.8967      1.00000
     13     -22.8926      1.00000
     14     -22.8925      1.00000
     15     -19.3499      1.00000
     16     -19.3293      1.00000
     17     -19.0039      1.00000
     18     -19.0002      1.00000
     19     -18.3124      1.00000
     20     -18.2892      1.00000
     21     -17.9529      1.00000
     22     -17.9512      1.00000
     23     -17.9067      1.00000
     24     -17.8944      1.00000
     25     -17.8266      1.00000
     26     -17.8246      1.00000
     27     -15.5003      1.00000
     28     -15.4967      1.00000
     29     -14.5300      1.00000
     30     -14.5238      1.00000
     31     -13.0115      1.00000
     32     -13.0027      1.00000
     33      -8.3028      1.00000
     34      -8.3011      1.00000
     35      -4.4865      1.00000
     36      -4.4355      1.00000
     37      -3.6839      1.00000
     38      -3.5605      1.00000
     39      -3.4736      1.00000
     40      -3.4431      1.00000
     41      -3.2956      1.00000
     42      -3.2896      1.00000
     43      -3.0686      1.00000
     44      -3.0660      1.00000
     45      -2.9217      1.00000
     46      -2.9072      1.00000
     47      -2.7761      1.00000
     48      -2.7671      1.00000
     49      -2.6134      1.00000
     50      -2.6130      1.00000
     51      -1.8970      1.00000
     52      -1.8830      1.00000
     53      -1.3146      0.00000
     54      -1.2833      0.00000
     55       0.3371      0.00000
     56       0.3632      0.00000
     57       0.7157      0.00000
     58       0.7584      0.00000
     59       1.4068      0.00000
     60       1.4221      0.00000
     61       1.5659      0.00000
     62       1.6119      0.00000
     63       1.7001      0.00000
     64       1.7287      0.00000
     65       1.8862      0.00000
     66       1.8938      0.00000
     67       2.2539      0.00000
     68       2.2598      0.00000
     69       2.3820      0.00000
     70       2.3856      0.00000
     71       2.4620      0.00000
     72       2.4630      0.00000

 k-point    33 :      -0.0000    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.4073      1.00000
      2     -36.4061      1.00000
      3     -36.2763      1.00000
      4     -36.2760      1.00000
      5     -23.9385      1.00000
      6     -23.9383      1.00000
      7     -23.9326      1.00000
      8     -23.9313      1.00000
      9     -22.9144      1.00000
     10     -22.9123      1.00000
     11     -22.8983      1.00000
     12     -22.8980      1.00000
     13     -22.8913      1.00000
     14     -22.8913      1.00000
     15     -19.3571      1.00000
     16     -19.3185      1.00000
     17     -19.0284      1.00000
     18     -19.0244      1.00000
     19     -18.3303      1.00000
     20     -18.2836      1.00000
     21     -17.9982      1.00000
     22     -17.9970      1.00000
     23     -17.9203      1.00000
     24     -17.8865      1.00000
     25     -17.8557      1.00000
     26     -17.8418      1.00000
     27     -15.4108      1.00000
     28     -15.4041      1.00000
     29     -14.4732      1.00000
     30     -14.4621      1.00000
     31     -12.9848      1.00000
     32     -12.9711      1.00000
     33      -8.3230      1.00000
     34      -8.3205      1.00000
     35      -4.5729      1.00000
     36      -4.4369      1.00000
     37      -4.1263      1.00000
     38      -3.9788      1.00000
     39      -3.7275      1.00000
     40      -3.6561      1.00000
     41      -3.5012      1.00000
     42      -3.4768      1.00000
     43      -3.3598      1.00000
     44      -3.3339      1.00000
     45      -2.9311      1.00000
     46      -2.9222      1.00000
     47      -2.8559      1.00000
     48      -2.8414      1.00000
     49      -2.6130      1.00000
     50      -2.6104      1.00000
     51      -1.6961      1.00000
     52      -1.6546      1.00000
     53      -1.0844      0.00000
     54      -1.0422      0.00000
     55       0.6201      0.00000
     56       0.6763      0.00000
     57       0.9150      0.00000
     58       0.9369      0.00000
     59       1.2904      0.00000
     60       1.3264      0.00000
     61       1.5106      0.00000
     62       1.5251      0.00000
     63       1.8694      0.00000
     64       1.8735      0.00000
     65       2.0029      0.00000
     66       2.0112      0.00000
     67       2.3705      0.00000
     68       2.3742      0.00000
     69       2.4935      0.00000
     70       2.4951      0.00000
     71       2.5502      0.00000
     72       2.5550      0.00000

 k-point    34 :       0.0625    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.4031      1.00000
      2     -36.4018      1.00000
      3     -36.2743      1.00000
      4     -36.2741      1.00000
      5     -23.9384      1.00000
      6     -23.9377      1.00000
      7     -23.9328      1.00000
      8     -23.9313      1.00000
      9     -22.9149      1.00000
     10     -22.9118      1.00000
     11     -22.8995      1.00000
     12     -22.8988      1.00000
     13     -22.8903      1.00000
     14     -22.8899      1.00000
     15     -19.3617      1.00000
     16     -19.3122      1.00000
     17     -19.0505      1.00000
     18     -19.0487      1.00000
     19     -18.3424      1.00000
     20     -18.2817      1.00000
     21     -18.0398      1.00000
     22     -18.0275      1.00000
     23     -17.9407      1.00000
     24     -17.8971      1.00000
     25     -17.8707      1.00000
     26     -17.8503      1.00000
     27     -15.3233      1.00000
     28     -15.3151      1.00000
     29     -14.4199      1.00000
     30     -14.4067      1.00000
     31     -12.9610      1.00000
     32     -12.9446      1.00000
     33      -8.3539      1.00000
     34      -8.3516      1.00000
     35      -4.7500      1.00000
     36      -4.6455      1.00000
     37      -4.3169      1.00000
     38      -4.2481      1.00000
     39      -4.1094      1.00000
     40      -3.9190      1.00000
     41      -3.5482      1.00000
     42      -3.5208      1.00000
     43      -3.3463      1.00000
     44      -3.3212      1.00000
     45      -3.0638      1.00000
     46      -3.0288      1.00000
     47      -2.8601      1.00000
     48      -2.8276      1.00000
     49      -2.6393      1.00000
     50      -2.6372      1.00000
     51      -1.5453      0.94706
     52      -1.4961      0.58862
     53      -1.0220      0.00000
     54      -0.9814      0.00000
     55       0.7747      0.00000
     56       0.8351      0.00000
     57       1.0577      0.00000
     58       1.0780      0.00000
     59       1.1755      0.00000
     60       1.2117      0.00000
     61       1.5208      0.00000
     62       1.5713      0.00000
     63       1.9307      0.00000
     64       2.0545      0.00000
     65       2.1459      0.00000
     66       2.1516      0.00000
     67       2.3972      0.00000
     68       2.4465      0.00000
     69       2.5547      0.00000
     70       2.5759      0.00000
     71       2.6748      0.00000
     72       2.6949      0.00000

 k-point    35 :       0.1250    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.3967      1.00000
      2     -36.3954      1.00000
      3     -36.2715      1.00000
      4     -36.2712      1.00000
      5     -23.9386      1.00000
      6     -23.9368      1.00000
      7     -23.9329      1.00000
      8     -23.9314      1.00000
      9     -22.9160      1.00000
     10     -22.9117      1.00000
     11     -22.9007      1.00000
     12     -22.8996      1.00000
     13     -22.8886      1.00000
     14     -22.8879      1.00000
     15     -19.3681      1.00000
     16     -19.3059      1.00000
     17     -19.0875      1.00000
     18     -19.0825      1.00000
     19     -18.3564      1.00000
     20     -18.2806      1.00000
     21     -18.0989      1.00000
     22     -18.0691      1.00000
     23     -17.9708      1.00000
     24     -17.9316      1.00000
     25     -17.8757      1.00000
     26     -17.8611      1.00000
     27     -15.1832      1.00000
     28     -15.1740      1.00000
     29     -14.3402      1.00000
     30     -14.3258      1.00000
     31     -12.9277      1.00000
     32     -12.9082      1.00000
     33      -8.4261      1.00000
     34      -8.4242      1.00000
     35      -5.0132      1.00000
     36      -4.9750      1.00000
     37      -4.8307      1.00000
     38      -4.7809      1.00000
     39      -4.1473      1.00000
     40      -4.0164      1.00000
     41      -3.5199      1.00000
     42      -3.5086      1.00000
     43      -3.4003      1.00000
     44      -3.3921      1.00000
     45      -3.3226      1.00000
     46      -3.2569      1.00000
     47      -2.8559      1.00000
     48      -2.8153      1.00000
     49      -2.6386      1.00000
     50      -2.6339      1.00000
     51      -1.3274      0.00000
     52      -1.2744      0.00000
     53      -1.0284      0.00000
     54      -0.9900      0.00000
     55       0.7897      0.00000
     56       0.8264      0.00000
     57       1.1378      0.00000
     58       1.1605      0.00000
     59       1.4015      0.00000
     60       1.4443      0.00000
     61       1.6158      0.00000
     62       1.6374      0.00000
     63       1.7903      0.00000
     64       1.8319      0.00000
     65       2.3502      0.00000
     66       2.3668      0.00000
     67       2.5008      0.00000
     68       2.5253      0.00000
     69       2.7779      0.00000
     70       2.7947      0.00000
     71       2.8319      0.00000
     72       2.8728      0.00000

 k-point    36 :       0.1875    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.3890      1.00000
      2     -36.3877      1.00000
      3     -36.2681      1.00000
      4     -36.2679      1.00000
      5     -23.9389      1.00000
      6     -23.9363      1.00000
      7     -23.9327      1.00000
      8     -23.9313      1.00000
      9     -22.9175      1.00000
     10     -22.9129      1.00000
     11     -22.9011      1.00000
     12     -22.9004      1.00000
     13     -22.8862      1.00000
     14     -22.8855      1.00000
     15     -19.3758      1.00000
     16     -19.3030      1.00000
     17     -19.1350      1.00000
     18     -19.1203      1.00000
     19     -18.3689      1.00000
     20     -18.2809      1.00000
     21     -18.1646      1.00000
     22     -18.1118      1.00000
     23     -18.0041      1.00000
     24     -17.9742      1.00000
     25     -17.8797      1.00000
     26     -17.8737      1.00000
     27     -15.0008      1.00000
     28     -14.9913      1.00000
     29     -14.2484      1.00000
     30     -14.2342      1.00000
     31     -12.8914      1.00000
     32     -12.8697      1.00000
     33      -8.5608      1.00000
     34      -8.5575      1.00000
     35      -5.4619      1.00000
     36      -5.4485      1.00000
     37      -5.1526      1.00000
     38      -5.0813      1.00000
     39      -4.2251      1.00000
     40      -4.1168      1.00000
     41      -3.7809      1.00000
     42      -3.7075      1.00000
     43      -3.4507      1.00000
     44      -3.3761      1.00000
     45      -3.3240      1.00000
     46      -3.3112      1.00000
     47      -2.8573      1.00000
     48      -2.8202      1.00000
     49      -2.6107      1.00000
     50      -2.6035      1.00000
     51      -1.1667      0.00000
     52      -1.1376      0.00000
     53      -1.0381      0.00000
     54      -0.9795      0.00000
     55       0.5794      0.00000
     56       0.5954      0.00000
     57       1.3180      0.00000
     58       1.3460      0.00000
     59       1.4605      0.00000
     60       1.5603      0.00000
     61       1.6706      0.00000
     62       1.7098      0.00000
     63       1.9874      0.00000
     64       2.0237      0.00000
     65       2.3864      0.00000
     66       2.4361      0.00000
     67       2.6687      0.00000
     68       2.7015      0.00000
     69       2.9899      0.00000
     70       3.0126      0.00000
     71       3.1303      0.00000
     72       3.1939      0.00000

 k-point    37 :       0.2500    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.3813      1.00000
      2     -36.3800      1.00000
      3     -36.2648      1.00000
      4     -36.2646      1.00000
      5     -23.9393      1.00000
      6     -23.9365      1.00000
      7     -23.9322      1.00000
      8     -23.9308      1.00000
      9     -22.9192      1.00000
     10     -22.9150      1.00000
     11     -22.9012      1.00000
     12     -22.9009      1.00000
     13     -22.8835      1.00000
     14     -22.8828      1.00000
     15     -19.3841      1.00000
     16     -19.3063      1.00000
     17     -19.1825      1.00000
     18     -19.1580      1.00000
     19     -18.3787      1.00000
     20     -18.2852      1.00000
     21     -18.2238      1.00000
     22     -18.1471      1.00000
     23     -18.0366      1.00000
     24     -18.0127      1.00000
     25     -17.8896      1.00000
     26     -17.8826      1.00000
     27     -14.7928      1.00000
     28     -14.7841      1.00000
     29     -14.1630      1.00000
     30     -14.1504      1.00000
     31     -12.8579      1.00000
     32     -12.8352      1.00000
     33      -8.7576      1.00000
     34      -8.7519      1.00000
     35      -5.9121      1.00000
     36      -5.9022      1.00000
     37      -5.2855      1.00000
     38      -5.2117      1.00000
     39      -4.4869      1.00000
     40      -4.3770      1.00000
     41      -3.9185      1.00000
     42      -3.8323      1.00000
     43      -3.4962      1.00000
     44      -3.4094      1.00000
     45      -3.2485      1.00000
     46      -3.2165      1.00000
     47      -2.8380      1.00000
     48      -2.8133      1.00000
     49      -2.5799      1.00000
     50      -2.5728      1.00000
     51      -1.3657      0.00027
     52      -1.3389      0.00001
     53      -0.7420      0.00000
     54      -0.6738      0.00000
     55       0.3985      0.00000
     56       0.4073      0.00000
     57       1.2830      0.00000
     58       1.3495      0.00000
     59       1.4340      0.00000
     60       1.4924      0.00000
     61       1.8387      0.00000
     62       1.9020      0.00000
     63       2.2331      0.00000
     64       2.2817      0.00000
     65       2.4877      0.00000
     66       2.5214      0.00000
     67       2.8796      0.00000
     68       2.9087      0.00000
     69       3.1705      0.00000
     70       3.1991      0.00000
     71       3.3516      0.00000
     72       3.3654      0.00000

 k-point    38 :       0.3125    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.3747      1.00000
      2     -36.3734      1.00000
      3     -36.2621      1.00000
      4     -36.2619      1.00000
      5     -23.9395      1.00000
      6     -23.9371      1.00000
      7     -23.9317      1.00000
      8     -23.9301      1.00000
      9     -22.9206      1.00000
     10     -22.9172      1.00000
     11     -22.9016      1.00000
     12     -22.9007      1.00000
     13     -22.8811      1.00000
     14     -22.8804      1.00000
     15     -19.3908      1.00000
     16     -19.3184      1.00000
     17     -19.2181      1.00000
     18     -19.1905      1.00000
     19     -18.3852      1.00000
     20     -18.3047      1.00000
     21     -18.2572      1.00000
     22     -18.1707      1.00000
     23     -18.0671      1.00000
     24     -18.0377      1.00000
     25     -17.9027      1.00000
     26     -17.8880      1.00000
     27     -14.5842      1.00000
     28     -14.5773      1.00000
     29     -14.1045      1.00000
     30     -14.0945      1.00000
     31     -12.8309      1.00000
     32     -12.8083      1.00000
     33      -8.9768      1.00000
     34      -8.9697      1.00000
     35      -6.2420      1.00000
     36      -6.2347      1.00000
     37      -5.3446      1.00000
     38      -5.2474      1.00000
     39      -4.7749      1.00000
     40      -4.6445      1.00000
     41      -3.9439      1.00000
     42      -3.8694      1.00000
     43      -3.5221      1.00000
     44      -3.4379      1.00000
     45      -3.2537      1.00000
     46      -3.2065      1.00000
     47      -2.7505      1.00000
     48      -2.7376      1.00000
     49      -2.5567      1.00000
     50      -2.5507      1.00000
     51      -1.5882      0.99768
     52      -1.5611      0.98042
     53      -0.4176      0.00000
     54      -0.3437      0.00000
     55       0.2751      0.00000
     56       0.2795      0.00000
     57       1.2025      0.00000
     58       1.2329      0.00000
     59       1.4448      0.00000
     60       1.4865      0.00000
     61       1.8785      0.00000
     62       1.9359      0.00000
     63       2.3057      0.00000
     64       2.3764      0.00000
     65       2.6881      0.00000
     66       2.7335      0.00000
     67       3.0551      0.00000
     68       3.0756      0.00000
     69       3.2494      0.00000
     70       3.2668      0.00000
     71       3.6782      0.00000
     72       3.6885      0.00000

 k-point    39 :       0.3750    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9396      1.00000
      6     -23.9378      1.00000
      7     -23.9313      1.00000
      8     -23.9295      1.00000
      9     -22.9214      1.00000
     10     -22.9189      1.00000
     11     -22.9019      1.00000
     12     -22.9005      1.00000
     13     -22.8794      1.00000
     14     -22.8787      1.00000
     15     -19.3936      1.00000
     16     -19.3363      1.00000
     17     -19.2345      1.00000
     18     -19.2139      1.00000
     19     -18.3880      1.00000
     20     -18.3330      1.00000
     21     -18.2649      1.00000
     22     -18.1830      1.00000
     23     -18.0902      1.00000
     24     -18.0490      1.00000
     25     -17.9126      1.00000
     26     -17.8918      1.00000
     27     -14.4114      1.00000
     28     -14.4074      1.00000
     29     -14.0868      1.00000
     30     -14.0794      1.00000
     31     -12.8133      1.00000
     32     -12.7913      1.00000
     33      -9.1504      1.00000
     34      -9.1430      1.00000
     35      -6.4408      1.00000
     36      -6.4353      1.00000
     37      -5.3707      1.00000
     38      -5.2292      1.00000
     39      -4.9798      1.00000
     40      -4.8050      1.00000
     41      -3.9275      1.00000
     42      -3.8598      1.00000
     43      -3.5638      1.00000
     44      -3.4972      1.00000
     45      -3.2785      1.00000
     46      -3.2401      1.00000
     47      -2.6544      1.00000
     48      -2.6431      1.00000
     49      -2.5457      1.00000
     50      -2.5351      1.00000
     51      -1.7537      1.00000
     52      -1.7262      1.00000
     53      -0.1220      0.00000
     54      -0.0550      0.00000
     55       0.2128      0.00000
     56       0.2171      0.00000
     57       1.0991      0.00000
     58       1.1067      0.00000
     59       1.4380      0.00000
     60       1.4693      0.00000
     61       1.8961      0.00000
     62       1.9384      0.00000
     63       2.1924      0.00000
     64       2.3108      0.00000
     65       2.8068      0.00000
     66       2.8645      0.00000
     67       3.2333      0.00000
     68       3.2544      0.00000
     69       3.4089      0.00000
     70       3.4320      0.00000
     71       3.7831      0.00000
     72       3.8087      0.00000

 k-point    40 :       0.4375    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.3687      1.00000
      2     -36.3673      1.00000
      3     -36.2596      1.00000
      4     -36.2595      1.00000
      5     -23.9397      1.00000
      6     -23.9381      1.00000
      7     -23.9312      1.00000
      8     -23.9293      1.00000
      9     -22.9216      1.00000
     10     -22.9196      1.00000
     11     -22.9020      1.00000
     12     -22.9004      1.00000
     13     -22.8788      1.00000
     14     -22.8781      1.00000
     15     -19.3937      1.00000
     16     -19.3454      1.00000
     17     -19.2374      1.00000
     18     -19.2235      1.00000
     19     -18.3880      1.00000
     20     -18.3454      1.00000
     21     -18.2663      1.00000
     22     -18.1865      1.00000
     23     -18.0988      1.00000
     24     -18.0520      1.00000
     25     -17.9164      1.00000
     26     -17.8933      1.00000
     27     -14.3351      1.00000
     28     -14.3337      1.00000
     29     -14.0929      1.00000
     30     -14.0866      1.00000
     31     -12.8073      1.00000
     32     -12.7852      1.00000
     33      -9.2164      1.00000
     34      -9.2092      1.00000
     35      -6.5073      1.00000
     36      -6.5025      1.00000
     37      -5.3807      1.00000
     38      -5.2069      1.00000
     39      -5.0610      1.00000
     40      -4.8537      1.00000
     41      -3.9070      1.00000
     42      -3.8392      1.00000
     43      -3.6009      1.00000
     44      -3.5439      1.00000
     45      -3.2801      1.00000
     46      -3.2517      1.00000
     47      -2.6192      1.00000
     48      -2.6012      1.00000
     49      -2.5446      1.00000
     50      -2.5272      1.00000
     51      -1.8146      1.00000
     52      -1.7870      1.00000
     53       0.0171      0.00000
     54       0.0474      0.00000
     55       0.2108      0.00000
     56       0.2207      0.00000
     57       1.0152      0.00000
     58       1.0399      0.00000
     59       1.4309      0.00000
     60       1.4613      0.00000
     61       1.9119      0.00000
     62       1.9573      0.00000
     63       2.1124      0.00000
     64       2.2614      0.00000
     65       2.8347      0.00000
     66       2.8939      0.00000
     67       3.2611      0.00000
     68       3.2859      0.00000
     69       3.5275      0.00000
     70       3.5539      0.00000
     71       3.8922      0.00000
     72       3.9125      0.00000

 k-point    41 :       0.5000    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9397      1.00000
      6     -23.9378      1.00000
      7     -23.9313      1.00000
      8     -23.9295      1.00000
      9     -22.9214      1.00000
     10     -22.9189      1.00000
     11     -22.9019      1.00000
     12     -22.9005      1.00000
     13     -22.8794      1.00000
     14     -22.8787      1.00000
     15     -19.3940      1.00000
     16     -19.3359      1.00000
     17     -19.2344      1.00000
     18     -19.2140      1.00000
     19     -18.3876      1.00000
     20     -18.3334      1.00000
     21     -18.2649      1.00000
     22     -18.1830      1.00000
     23     -18.0902      1.00000
     24     -18.0490      1.00000
     25     -17.9126      1.00000
     26     -17.8918      1.00000
     27     -14.4114      1.00000
     28     -14.4074      1.00000
     29     -14.0868      1.00000
     30     -14.0794      1.00000
     31     -12.8137      1.00000
     32     -12.7908      1.00000
     33      -9.1504      1.00000
     34      -9.1430      1.00000
     35      -6.4408      1.00000
     36      -6.4353      1.00000
     37      -5.3707      1.00000
     38      -5.2292      1.00000
     39      -4.9798      1.00000
     40      -4.8050      1.00000
     41      -3.9275      1.00000
     42      -3.8598      1.00000
     43      -3.5638      1.00000
     44      -3.4972      1.00000
     45      -3.2787      1.00000
     46      -3.2399      1.00000
     47      -2.6542      1.00000
     48      -2.6433      1.00000
     49      -2.5450      1.00000
     50      -2.5358      1.00000
     51      -1.7537      1.00000
     52      -1.7262      1.00000
     53      -0.0999      0.00000
     54      -0.0773      0.00000
     55       0.2117      0.00000
     56       0.2182      0.00000
     57       1.0839      0.00000
     58       1.1208      0.00000
     59       1.4385      0.00000
     60       1.4700      0.00000
     61       1.8960      0.00000
     62       1.9381      0.00000
     63       2.1933      0.00000
     64       2.3101      0.00000
     65       2.8058      0.00000
     66       2.8655      0.00000
     67       3.2363      0.00000
     68       3.2517      0.00000
     69       3.4118      0.00000
     70       3.4290      0.00000
     71       3.7881      0.00000
     72       3.8037      0.00000

 k-point    42 :      -0.4375    0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.3747      1.00000
      2     -36.3734      1.00000
      3     -36.2621      1.00000
      4     -36.2619      1.00000
      5     -23.9396      1.00000
      6     -23.9371      1.00000
      7     -23.9317      1.00000
      8     -23.9300      1.00000
      9     -22.9206      1.00000
     10     -22.9172      1.00000
     11     -22.9016      1.00000
     12     -22.9007      1.00000
     13     -22.8811      1.00000
     14     -22.8804      1.00000
     15     -19.3914      1.00000
     16     -19.3179      1.00000
     17     -19.2180      1.00000
     18     -19.1906      1.00000
     19     -18.3846      1.00000
     20     -18.3052      1.00000
     21     -18.2572      1.00000
     22     -18.1708      1.00000
     23     -18.0672      1.00000
     24     -18.0377      1.00000
     25     -17.9027      1.00000
     26     -17.8879      1.00000
     27     -14.5841      1.00000
     28     -14.5773      1.00000
     29     -14.1045      1.00000
     30     -14.0945      1.00000
     31     -12.8317      1.00000
     32     -12.8076      1.00000
     33      -8.9769      1.00000
     34      -8.9697      1.00000
     35      -6.2420      1.00000
     36      -6.2347      1.00000
     37      -5.3446      1.00000
     38      -5.2474      1.00000
     39      -4.7749      1.00000
     40      -4.6445      1.00000
     41      -3.9439      1.00000
     42      -3.8694      1.00000
     43      -3.5222      1.00000
     44      -3.4379      1.00000
     45      -3.2540      1.00000
     46      -3.2062      1.00000
     47      -2.7490      1.00000
     48      -2.7390      1.00000
     49      -2.5555      1.00000
     50      -2.5519      1.00000
     51      -1.5882      0.99768
     52      -1.5611      0.98043
     53      -0.3900      0.00000
     54      -0.3716      0.00000
     55       0.2756      0.00000
     56       0.2789      0.00000
     57       1.2022      0.00000
     58       1.2316      0.00000
     59       1.4450      0.00000
     60       1.4879      0.00000
     61       1.8786      0.00000
     62       1.9355      0.00000
     63       2.3078      0.00000
     64       2.3743      0.00000
     65       2.6884      0.00000
     66       2.7341      0.00000
     67       3.0575      0.00000
     68       3.0723      0.00000
     69       3.2482      0.00000
     70       3.2685      0.00000
     71       3.6790      0.00000
     72       3.6878      0.00000

 k-point    43 :      -0.3750    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.3813      1.00000
      2     -36.3800      1.00000
      3     -36.2648      1.00000
      4     -36.2646      1.00000
      5     -23.9393      1.00000
      6     -23.9365      1.00000
      7     -23.9322      1.00000
      8     -23.9307      1.00000
      9     -22.9192      1.00000
     10     -22.9150      1.00000
     11     -22.9012      1.00000
     12     -22.9009      1.00000
     13     -22.8835      1.00000
     14     -22.8828      1.00000
     15     -19.3847      1.00000
     16     -19.3057      1.00000
     17     -19.1823      1.00000
     18     -19.1581      1.00000
     19     -18.3780      1.00000
     20     -18.2856      1.00000
     21     -18.2240      1.00000
     22     -18.1471      1.00000
     23     -18.0367      1.00000
     24     -18.0128      1.00000
     25     -17.8896      1.00000
     26     -17.8825      1.00000
     27     -14.7928      1.00000
     28     -14.7841      1.00000
     29     -14.1630      1.00000
     30     -14.1505      1.00000
     31     -12.8589      1.00000
     32     -12.8341      1.00000
     33      -8.7577      1.00000
     34      -8.7519      1.00000
     35      -5.9121      1.00000
     36      -5.9022      1.00000
     37      -5.2855      1.00000
     38      -5.2117      1.00000
     39      -4.4869      1.00000
     40      -4.3770      1.00000
     41      -3.9185      1.00000
     42      -3.8323      1.00000
     43      -3.4963      1.00000
     44      -3.4093      1.00000
     45      -3.2493      1.00000
     46      -3.2157      1.00000
     47      -2.8365      1.00000
     48      -2.8146      1.00000
     49      -2.5794      1.00000
     50      -2.5734      1.00000
     51      -1.3657      0.00027
     52      -1.3389      0.00001
     53      -0.7143      0.00000
     54      -0.7019      0.00000
     55       0.3991      0.00000
     56       0.4066      0.00000
     57       1.2832      0.00000
     58       1.3486      0.00000
     59       1.4334      0.00000
     60       1.4936      0.00000
     61       1.8399      0.00000
     62       1.9005      0.00000
     63       2.2352      0.00000
     64       2.2798      0.00000
     65       2.4903      0.00000
     66       2.5194      0.00000
     67       2.8758      0.00000
     68       2.9121      0.00000
     69       3.1682      0.00000
     70       3.2018      0.00000
     71       3.3516      0.00000
     72       3.3653      0.00000

 k-point    44 :      -0.3125    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.3890      1.00000
      2     -36.3877      1.00000
      3     -36.2681      1.00000
      4     -36.2679      1.00000
      5     -23.9389      1.00000
      6     -23.9363      1.00000
      7     -23.9328      1.00000
      8     -23.9312      1.00000
      9     -22.9175      1.00000
     10     -22.9129      1.00000
     11     -22.9011      1.00000
     12     -22.9004      1.00000
     13     -22.8862      1.00000
     14     -22.8855      1.00000
     15     -19.3765      1.00000
     16     -19.3024      1.00000
     17     -19.1348      1.00000
     18     -19.1204      1.00000
     19     -18.3683      1.00000
     20     -18.2813      1.00000
     21     -18.1648      1.00000
     22     -18.1118      1.00000
     23     -18.0042      1.00000
     24     -17.9744      1.00000
     25     -17.8797      1.00000
     26     -17.8735      1.00000
     27     -15.0008      1.00000
     28     -14.9914      1.00000
     29     -14.2484      1.00000
     30     -14.2342      1.00000
     31     -12.8926      1.00000
     32     -12.8685      1.00000
     33      -8.5608      1.00000
     34      -8.5575      1.00000
     35      -5.4619      1.00000
     36      -5.4485      1.00000
     37      -5.1526      1.00000
     38      -5.0813      1.00000
     39      -4.2251      1.00000
     40      -4.1168      1.00000
     41      -3.7809      1.00000
     42      -3.7075      1.00000
     43      -3.4508      1.00000
     44      -3.3759      1.00000
     45      -3.3262      1.00000
     46      -3.3091      1.00000
     47      -2.8563      1.00000
     48      -2.8211      1.00000
     49      -2.6105      1.00000
     50      -2.6037      1.00000
     51      -1.1654      0.00000
     52      -1.1388      0.00000
     53      -1.0135      0.00000
     54      -1.0044      0.00000
     55       0.5795      0.00000
     56       0.5953      0.00000
     57       1.3154      0.00000
     58       1.3486      0.00000
     59       1.4614      0.00000
     60       1.5597      0.00000
     61       1.6757      0.00000
     62       1.7035      0.00000
     63       1.9918      0.00000
     64       2.0204      0.00000
     65       2.3861      0.00000
     66       2.4365      0.00000
     67       2.6633      0.00000
     68       2.7069      0.00000
     69       2.9904      0.00000
     70       3.0121      0.00000
     71       3.1295      0.00000
     72       3.1947      0.00000

 k-point    45 :      -0.2500    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.3967      1.00000
      2     -36.3954      1.00000
      3     -36.2715      1.00000
      4     -36.2712      1.00000
      5     -23.9386      1.00000
      6     -23.9368      1.00000
      7     -23.9329      1.00000
      8     -23.9314      1.00000
      9     -22.9159      1.00000
     10     -22.9118      1.00000
     11     -22.9006      1.00000
     12     -22.8996      1.00000
     13     -22.8886      1.00000
     14     -22.8879      1.00000
     15     -19.3687      1.00000
     16     -19.3053      1.00000
     17     -19.0874      1.00000
     18     -19.0826      1.00000
     19     -18.3558      1.00000
     20     -18.2810      1.00000
     21     -18.0992      1.00000
     22     -18.0690      1.00000
     23     -17.9708      1.00000
     24     -17.9318      1.00000
     25     -17.8757      1.00000
     26     -17.8610      1.00000
     27     -15.1832      1.00000
     28     -15.1740      1.00000
     29     -14.3402      1.00000
     30     -14.3258      1.00000
     31     -12.9288      1.00000
     32     -12.9070      1.00000
     33      -8.4260      1.00000
     34      -8.4242      1.00000
     35      -5.0132      1.00000
     36      -4.9750      1.00000
     37      -4.8307      1.00000
     38      -4.7810      1.00000
     39      -4.1474      1.00000
     40      -4.0164      1.00000
     41      -3.5188      1.00000
     42      -3.5097      1.00000
     43      -3.4000      1.00000
     44      -3.3919      1.00000
     45      -3.3231      1.00000
     46      -3.2567      1.00000
     47      -2.8551      1.00000
     48      -2.8161      1.00000
     49      -2.6386      1.00000
     50      -2.6339      1.00000
     51      -1.3099      0.00000
     52      -1.2920      0.00000
     53      -1.0284      0.00000
     54      -0.9902      0.00000
     55       0.7895      0.00000
     56       0.8267      0.00000
     57       1.1329      0.00000
     58       1.1667      0.00000
     59       1.4021      0.00000
     60       1.4410      0.00000
     61       1.6262      0.00000
     62       1.6287      0.00000
     63       1.7909      0.00000
     64       1.8312      0.00000
     65       2.3498      0.00000
     66       2.3669      0.00000
     67       2.4974      0.00000
     68       2.5293      0.00000
     69       2.7758      0.00000
     70       2.7963      0.00000
     71       2.8313      0.00000
     72       2.8738      0.00000

 k-point    46 :      -0.1875    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.4031      1.00000
      2     -36.4018      1.00000
      3     -36.2743      1.00000
      4     -36.2741      1.00000
      5     -23.9384      1.00000
      6     -23.9377      1.00000
      7     -23.9328      1.00000
      8     -23.9313      1.00000
      9     -22.9149      1.00000
     10     -22.9118      1.00000
     11     -22.8995      1.00000
     12     -22.8988      1.00000
     13     -22.8903      1.00000
     14     -22.8899      1.00000
     15     -19.3623      1.00000
     16     -19.3116      1.00000
     17     -19.0506      1.00000
     18     -19.0485      1.00000
     19     -18.3419      1.00000
     20     -18.2820      1.00000
     21     -18.0400      1.00000
     22     -18.0275      1.00000
     23     -17.9406      1.00000
     24     -17.8972      1.00000
     25     -17.8706      1.00000
     26     -17.8503      1.00000
     27     -15.3233      1.00000
     28     -15.3152      1.00000
     29     -14.4198      1.00000
     30     -14.4067      1.00000
     31     -12.9621      1.00000
     32     -12.9436      1.00000
     33      -8.3539      1.00000
     34      -8.3516      1.00000
     35      -4.7499      1.00000
     36      -4.6456      1.00000
     37      -4.3169      1.00000
     38      -4.2483      1.00000
     39      -4.1094      1.00000
     40      -3.9190      1.00000
     41      -3.5464      1.00000
     42      -3.5227      1.00000
     43      -3.3453      1.00000
     44      -3.3219      1.00000
     45      -3.0640      1.00000
     46      -3.0287      1.00000
     47      -2.8592      1.00000
     48      -2.8284      1.00000
     49      -2.6387      1.00000
     50      -2.6378      1.00000
     51      -1.5301      0.88209
     52      -1.5116      0.74620
     53      -1.0219      0.00000
     54      -0.9814      0.00000
     55       0.7730      0.00000
     56       0.8379      0.00000
     57       1.0524      0.00000
     58       1.0819      0.00000
     59       1.1784      0.00000
     60       1.2090      0.00000
     61       1.5228      0.00000
     62       1.5693      0.00000
     63       1.9311      0.00000
     64       2.0543      0.00000
     65       2.1405      0.00000
     66       2.1569      0.00000
     67       2.3966      0.00000
     68       2.4472      0.00000
     69       2.5533      0.00000
     70       2.5771      0.00000
     71       2.6741      0.00000
     72       2.6954      0.00000

 k-point    47 :      -0.1250    0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.4073      1.00000
      2     -36.4061      1.00000
      3     -36.2763      1.00000
      4     -36.2760      1.00000
      5     -23.9385      1.00000
      6     -23.9383      1.00000
      7     -23.9326      1.00000
      8     -23.9313      1.00000
      9     -22.9144      1.00000
     10     -22.9123      1.00000
     11     -22.8983      1.00000
     12     -22.8980      1.00000
     13     -22.8913      1.00000
     14     -22.8913      1.00000
     15     -19.3575      1.00000
     16     -19.3182      1.00000
     17     -19.0285      1.00000
     18     -19.0243      1.00000
     19     -18.3300      1.00000
     20     -18.2838      1.00000
     21     -17.9983      1.00000
     22     -17.9970      1.00000
     23     -17.9202      1.00000
     24     -17.8866      1.00000
     25     -17.8557      1.00000
     26     -17.8418      1.00000
     27     -15.4108      1.00000
     28     -15.4041      1.00000
     29     -14.4732      1.00000
     30     -14.4621      1.00000
     31     -12.9855      1.00000
     32     -12.9704      1.00000
     33      -8.3230      1.00000
     34      -8.3205      1.00000
     35      -4.5727      1.00000
     36      -4.4371      1.00000
     37      -4.1263      1.00000
     38      -3.9788      1.00000
     39      -3.7279      1.00000
     40      -3.6554      1.00000
     41      -3.5005      1.00000
     42      -3.4777      1.00000
     43      -3.3588      1.00000
     44      -3.3351      1.00000
     45      -2.9310      1.00000
     46      -2.9221      1.00000
     47      -2.8555      1.00000
     48      -2.8419      1.00000
     49      -2.6127      1.00000
     50      -2.6108      1.00000
     51      -1.6852      1.00000
     52      -1.6657      1.00000
     53      -1.0839      0.00000
     54      -1.0426      0.00000
     55       0.6190      0.00000
     56       0.6783      0.00000
     57       0.9112      0.00000
     58       0.9398      0.00000
     59       1.2916      0.00000
     60       1.3259      0.00000
     61       1.5135      0.00000
     62       1.5216      0.00000
     63       1.8692      0.00000
     64       1.8744      0.00000
     65       2.0017      0.00000
     66       2.0119      0.00000
     67       2.3717      0.00000
     68       2.3729      0.00000
     69       2.4933      0.00000
     70       2.4952      0.00000
     71       2.5519      0.00000
     72       2.5534      0.00000

 k-point    48 :      -0.0625    0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.4088      1.00000
      2     -36.4076      1.00000
      3     -36.2770      1.00000
      4     -36.2767      1.00000
      5     -23.9387      1.00000
      6     -23.9384      1.00000
      7     -23.9325      1.00000
      8     -23.9312      1.00000
      9     -22.9144      1.00000
     10     -22.9125      1.00000
     11     -22.8979      1.00000
     12     -22.8976      1.00000
     13     -22.8918      1.00000
     14     -22.8916      1.00000
     15     -19.3554      1.00000
     16     -19.3212      1.00000
     17     -19.0206      1.00000
     18     -19.0161      1.00000
     19     -18.3252      1.00000
     20     -18.2848      1.00000
     21     -17.9866      1.00000
     22     -17.9820      1.00000
     23     -17.9140      1.00000
     24     -17.8856      1.00000
     25     -17.8486      1.00000
     26     -17.8373      1.00000
     27     -15.4405      1.00000
     28     -15.4345      1.00000
     29     -14.4918      1.00000
     30     -14.4818      1.00000
     31     -12.9937      1.00000
     32     -12.9807      1.00000
     33      -8.3150      1.00000
     34      -8.3125      1.00000
     35      -4.5215      1.00000
     36      -4.4073      1.00000
     37      -3.9522      1.00000
     38      -3.7660      1.00000
     39      -3.7555      1.00000
     40      -3.7261      1.00000
     41      -3.5145      1.00000
     42      -3.4628      1.00000
     43      -3.1104      1.00000
     44      -3.0747      1.00000
     45      -3.0060      1.00000
     46      -2.9854      1.00000
     47      -2.8433      1.00000
     48      -2.8344      1.00000
     49      -2.6413      1.00000
     50      -2.6372      1.00000
     51      -1.7470      1.00000
     52      -1.7175      1.00000
     53      -1.1287      0.00000
     54      -1.0837      0.00000
     55       0.6511      0.00000
     56       0.6964      0.00000
     57       0.7965      0.00000
     58       0.8437      0.00000
     59       1.3354      0.00000
     60       1.3809      0.00000
     61       1.4277      0.00000
     62       1.4472      0.00000
     63       1.7866      0.00000
     64       1.8897      0.00000
     65       1.9310      0.00000
     66       1.9843      0.00000
     67       2.3202      0.00000
     68       2.3285      0.00000
     69       2.3896      0.00000
     70       2.3999      0.00000
     71       2.5822      0.00000
     72       2.6122      0.00000

 k-point    49 :       0.0000    0.1875   -0.0000
  band No.  band energies     occupation 
      1     -36.4004      1.00000
      2     -36.3992      1.00000
      3     -36.2731      1.00000
      4     -36.2729      1.00000
      5     -23.9382      1.00000
      6     -23.9377      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9152      1.00000
     10     -22.9119      1.00000
     11     -22.9000      1.00000
     12     -22.8994      1.00000
     13     -22.8893      1.00000
     14     -22.8890      1.00000
     15     -19.3646      1.00000
     16     -19.3092      1.00000
     17     -19.0650      1.00000
     18     -19.0643      1.00000
     19     -18.3490      1.00000
     20     -18.2813      1.00000
     21     -18.0587      1.00000
     22     -18.0484      1.00000
     23     -17.9559      1.00000
     24     -17.9152      1.00000
     25     -17.8681      1.00000
     26     -17.8534      1.00000
     27     -15.2665      1.00000
     28     -15.2578      1.00000
     29     -14.3869      1.00000
     30     -14.3732      1.00000
     31     -12.9471      1.00000
     32     -12.9294      1.00000
     33      -8.3816      1.00000
     34      -8.3800      1.00000
     35      -4.9846      1.00000
     36      -4.9348      1.00000
     37      -4.3582      1.00000
     38      -4.3056      1.00000
     39      -4.0269      1.00000
     40      -3.8425      1.00000
     41      -3.7508      1.00000
     42      -3.7165      1.00000
     43      -3.4418      1.00000
     44      -3.4344      1.00000
     45      -2.9612      1.00000
     46      -2.9455      1.00000
     47      -2.8649      1.00000
     48      -2.8415      1.00000
     49      -2.6057      1.00000
     50      -2.6024      1.00000
     51      -1.4587      0.20260
     52      -1.4165      0.02138
     53      -1.0926      0.00000
     54      -1.0689      0.00000
     55       0.6461      0.00000
     56       0.6755      0.00000
     57       1.0176      0.00000
     58       1.0382      0.00000
     59       1.2130      0.00000
     60       1.2384      0.00000
     61       1.8302      0.00000
     62       1.8649      0.00000
     63       2.0946      0.00000
     64       2.1262      0.00000
     65       2.3215      0.00000
     66       2.3305      0.00000
     67       2.4014      0.00000
     68       2.4252      0.00000
     69       2.6002      0.00000
     70       2.6085      0.00000
     71       2.6554      0.00000
     72       2.6699      0.00000

 k-point    50 :       0.0625    0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3955      1.00000
      2     -36.3942      1.00000
      3     -36.2709      1.00000
      4     -36.2707      1.00000
      5     -23.9385      1.00000
      6     -23.9371      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9162      1.00000
     10     -22.9122      1.00000
     11     -22.9007      1.00000
     12     -22.8999      1.00000
     13     -22.8880      1.00000
     14     -22.8874      1.00000
     15     -19.3694      1.00000
     16     -19.3055      1.00000
     17     -19.0954      1.00000
     18     -19.0891      1.00000
     19     -18.3590      1.00000
     20     -18.2809      1.00000
     21     -18.1039      1.00000
     22     -18.0780      1.00000
     23     -17.9789      1.00000
     24     -17.9410      1.00000
     25     -17.8723      1.00000
     26     -17.8606      1.00000
     27     -15.1564      1.00000
     28     -15.1472      1.00000
     29     -14.3263      1.00000
     30     -14.3120      1.00000
     31     -12.9221      1.00000
     32     -12.9027      1.00000
     33      -8.4464      1.00000
     34      -8.4451      1.00000
     35      -5.2431      1.00000
     36      -5.2203      1.00000
     37      -4.6896      1.00000
     38      -4.6071      1.00000
     39      -4.1495      1.00000
     40      -3.9824      1.00000
     41      -3.7669      1.00000
     42      -3.6830      1.00000
     43      -3.4122      1.00000
     44      -3.4057      1.00000
     45      -3.1152      1.00000
     46      -3.0758      1.00000
     47      -2.8628      1.00000
     48      -2.8227      1.00000
     49      -2.6157      1.00000
     50      -2.6121      1.00000
     51      -1.2988      0.00000
     52      -1.2516      0.00000
     53      -1.1401      0.00000
     54      -1.1130      0.00000
     55       0.6553      0.00000
     56       0.6748      0.00000
     57       1.0410      0.00000
     58       1.0541      0.00000
     59       1.3889      0.00000
     60       1.4160      0.00000
     61       1.8371      0.00000
     62       1.9042      0.00000
     63       1.9583      0.00000
     64       1.9928      0.00000
     65       2.3788      0.00000
     66       2.4539      0.00000
     67       2.4997      0.00000
     68       2.5233      0.00000
     69       2.7737      0.00000
     70       2.8101      0.00000
     71       2.8642      0.00000
     72       2.9071      0.00000

 k-point    51 :       0.1250    0.1875   -0.0000
  band No.  band energies     occupation 
      1     -36.3890      1.00000
      2     -36.3877      1.00000
      3     -36.2681      1.00000
      4     -36.2679      1.00000
      5     -23.9389      1.00000
      6     -23.9363      1.00000
      7     -23.9327      1.00000
      8     -23.9313      1.00000
      9     -22.9175      1.00000
     10     -22.9129      1.00000
     11     -22.9011      1.00000
     12     -22.9004      1.00000
     13     -22.8862      1.00000
     14     -22.8855      1.00000
     15     -19.3759      1.00000
     16     -19.3029      1.00000
     17     -19.1349      1.00000
     18     -19.1203      1.00000
     19     -18.3688      1.00000
     20     -18.2810      1.00000
     21     -18.1646      1.00000
     22     -18.1118      1.00000
     23     -18.0042      1.00000
     24     -17.9743      1.00000
     25     -17.8797      1.00000
     26     -17.8736      1.00000
     27     -15.0008      1.00000
     28     -14.9913      1.00000
     29     -14.2484      1.00000
     30     -14.2342      1.00000
     31     -12.8915      1.00000
     32     -12.8695      1.00000
     33      -8.5608      1.00000
     34      -8.5575      1.00000
     35      -5.4620      1.00000
     36      -5.4484      1.00000
     37      -5.1526      1.00000
     38      -5.0814      1.00000
     39      -4.2251      1.00000
     40      -4.1168      1.00000
     41      -3.7809      1.00000
     42      -3.7075      1.00000
     43      -3.4503      1.00000
     44      -3.3770      1.00000
     45      -3.3256      1.00000
     46      -3.3090      1.00000
     47      -2.8573      1.00000
     48      -2.8202      1.00000
     49      -2.6105      1.00000
     50      -2.6037      1.00000
     51      -1.1675      0.00000
     52      -1.1365      0.00000
     53      -1.0368      0.00000
     54      -0.9811      0.00000
     55       0.5796      0.00000
     56       0.5952      0.00000
     57       1.3156      0.00000
     58       1.3474      0.00000
     59       1.4637      0.00000
     60       1.5592      0.00000
     61       1.6684      0.00000
     62       1.7096      0.00000
     63       1.9981      0.00000
     64       2.0144      0.00000
     65       2.3838      0.00000
     66       2.4385      0.00000
     67       2.6719      0.00000
     68       2.6980      0.00000
     69       2.9942      0.00000
     70       3.0083      0.00000
     71       3.1308      0.00000
     72       3.1937      0.00000

 k-point    52 :       0.1875    0.1875   -0.0000
  band No.  band energies     occupation 
      1     -36.3820      1.00000
      2     -36.3807      1.00000
      3     -36.2651      1.00000
      4     -36.2648      1.00000
      5     -23.9392      1.00000
      6     -23.9358      1.00000
      7     -23.9328      1.00000
      8     -23.9309      1.00000
      9     -22.9187      1.00000
     10     -22.9140      1.00000
     11     -22.9013      1.00000
     12     -22.9011      1.00000
     13     -22.8842      1.00000
     14     -22.8835      1.00000
     15     -19.3835      1.00000
     16     -19.3036      1.00000
     17     -19.1766      1.00000
     18     -19.1528      1.00000
     19     -18.3780      1.00000
     20     -18.2818      1.00000
     21     -18.2284      1.00000
     22     -18.1414      1.00000
     23     -18.0312      1.00000
     24     -18.0102      1.00000
     25     -17.8936      1.00000
     26     -17.8855      1.00000
     27     -14.8127      1.00000
     28     -14.8038      1.00000
     29     -14.1681      1.00000
     30     -14.1549      1.00000
     31     -12.8606      1.00000
     32     -12.8358      1.00000
     33      -8.7254      1.00000
     34      -8.7195      1.00000
     35      -5.7134      1.00000
     36      -5.6943      1.00000
     37      -5.4897      1.00000
     38      -5.4202      1.00000
     39      -4.3791      1.00000
     40      -4.3132      1.00000
     41      -3.9606      1.00000
     42      -3.9281      1.00000
     43      -3.5440      1.00000
     44      -3.4581      1.00000
     45      -3.2636      1.00000
     46      -3.2476      1.00000
     47      -2.8659      1.00000
     48      -2.8390      1.00000
     49      -2.5881      1.00000
     50      -2.5799      1.00000
     51      -1.1956      0.00000
     52      -1.1644      0.00000
     53      -0.7596      0.00000
     54      -0.6941      0.00000
     55       0.5112      0.00000
     56       0.5213      0.00000
     57       1.1588      0.00000
     58       1.2277      0.00000
     59       1.6274      0.00000
     60       1.6953      0.00000
     61       1.8239      0.00000
     62       1.8563      0.00000
     63       2.1943      0.00000
     64       2.2419      0.00000
     65       2.4047      0.00000
     66       2.4633      0.00000
     67       2.8013      0.00000
     68       2.8339      0.00000
     69       3.2302      0.00000
     70       3.2399      0.00000
     71       3.3298      0.00000
     72       3.3872      0.00000

 k-point    53 :       0.2500    0.1875   -0.0000
  band No.  band energies     occupation 
      1     -36.3754      1.00000
      2     -36.3740      1.00000
      3     -36.2623      1.00000
      4     -36.2621      1.00000
      5     -23.9393      1.00000
      6     -23.9360      1.00000
      7     -23.9326      1.00000
      8     -23.9303      1.00000
      9     -22.9195      1.00000
     10     -22.9153      1.00000
     11     -22.9022      1.00000
     12     -22.9011      1.00000
     13     -22.8822      1.00000
     14     -22.8816      1.00000
     15     -19.3910      1.00000
     16     -19.3096      1.00000
     17     -19.2112      1.00000
     18     -19.1819      1.00000
     19     -18.3881      1.00000
     20     -18.2954      1.00000
     21     -18.2714      1.00000
     22     -18.1615      1.00000
     23     -18.0628      1.00000
     24     -18.0366      1.00000
     25     -17.9136      1.00000
     26     -17.8929      1.00000
     27     -14.6121      1.00000
     28     -14.6045      1.00000
     29     -14.1035      1.00000
     30     -14.0921      1.00000
     31     -12.8336      1.00000
     32     -12.8064      1.00000
     33      -8.9192      1.00000
     34      -8.9109      1.00000
     35      -6.0258      1.00000
     36      -6.0160      1.00000
     37      -5.5959      1.00000
     38      -5.5341      1.00000
     39      -4.6796      1.00000
     40      -4.6081      1.00000
     41      -4.0881      1.00000
     42      -4.0327      1.00000
     43      -3.5524      1.00000
     44      -3.4842      1.00000
     45      -3.2019      1.00000
     46      -3.1836      1.00000
     47      -2.8493      1.00000
     48      -2.8363      1.00000
     49      -2.5671      1.00000
     50      -2.5597      1.00000
     51      -1.3089      0.00000
     52      -1.2783      0.00000
     53      -0.4475      0.00000
     54      -0.3747      0.00000
     55       0.4607      0.00000
     56       0.4679      0.00000
     57       1.0597      0.00000
     58       1.1199      0.00000
     59       1.5884      0.00000
     60       1.6794      0.00000
     61       1.9018      0.00000
     62       1.9905      0.00000
     63       2.4088      0.00000
     64       2.4508      0.00000
     65       2.6048      0.00000
     66       2.6225      0.00000
     67       2.9850      0.00000
     68       3.0051      0.00000
     69       3.2795      0.00000
     70       3.3176      0.00000
     71       3.5904      0.00000
     72       3.6107      0.00000

 k-point    54 :       0.3125    0.1875   -0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2601      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9325      1.00000
      8     -23.9298      1.00000
      9     -22.9198      1.00000
     10     -22.9165      1.00000
     11     -22.9032      1.00000
     12     -22.9011      1.00000
     13     -22.8807      1.00000
     14     -22.8801      1.00000
     15     -19.3967      1.00000
     16     -19.3214      1.00000
     17     -19.2308      1.00000
     18     -19.2045      1.00000
     19     -18.3985      1.00000
     20     -18.3359      1.00000
     21     -18.2701      1.00000
     22     -18.1733      1.00000
     23     -18.0938      1.00000
     24     -18.0487      1.00000
     25     -17.9319      1.00000
     26     -17.8986      1.00000
     27     -14.4268      1.00000
     28     -14.4215      1.00000
     29     -14.0718      1.00000
     30     -14.0623      1.00000
     31     -12.8136      1.00000
     32     -12.7848      1.00000
     33      -9.0969      1.00000
     34      -9.0873      1.00000
     35      -6.2543      1.00000
     36      -6.2458      1.00000
     37      -5.6400      1.00000
     38      -5.5621      1.00000
     39      -4.9821      1.00000
     40      -4.8894      1.00000
     41      -4.0626      1.00000
     42      -3.9971      1.00000
     43      -3.5970      1.00000
     44      -3.5408      1.00000
     45      -3.2052      1.00000
     46      -3.1876      1.00000
     47      -2.7744      1.00000
     48      -2.7694      1.00000
     49      -2.5570      1.00000
     50      -2.5505      1.00000
     51      -1.4501      0.14089
     52      -1.4205      0.02789
     53      -0.1507      0.00000
     54      -0.0780      0.00000
     55       0.4324      0.00000
     56       0.4396      0.00000
     57       1.0592      0.00000
     58       1.0920      0.00000
     59       1.5559      0.00000
     60       1.6050      0.00000
     61       1.9040      0.00000
     62       1.9559      0.00000
     63       2.4263      0.00000
     64       2.4947      0.00000
     65       2.7407      0.00000
     66       2.8083      0.00000
     67       3.1754      0.00000
     68       3.2031      0.00000
     69       3.3968      0.00000
     70       3.4228      0.00000
     71       3.7818      0.00000
     72       3.8047      0.00000

 k-point    55 :       0.3750    0.1875   -0.0000
  band No.  band energies     occupation 
      1     -36.3675      1.00000
      2     -36.3662      1.00000
      3     -36.2591      1.00000
      4     -36.2590      1.00000
      5     -23.9390      1.00000
      6     -23.9370      1.00000
      7     -23.9324      1.00000
      8     -23.9294      1.00000
      9     -22.9198      1.00000
     10     -22.9172      1.00000
     11     -22.9038      1.00000
     12     -22.9012      1.00000
     13     -22.8799      1.00000
     14     -22.8792      1.00000
     15     -19.3995      1.00000
     16     -19.3317      1.00000
     17     -19.2367      1.00000
     18     -19.2178      1.00000
     19     -18.4052      1.00000
     20     -18.3596      1.00000
     21     -18.2653      1.00000
     22     -18.1790      1.00000
     23     -18.1132      1.00000
     24     -18.0520      1.00000
     25     -17.9433      1.00000
     26     -17.9019      1.00000
     27     -14.2987      1.00000
     28     -14.2963      1.00000
     29     -14.0762      1.00000
     30     -14.0675      1.00000
     31     -12.8030      1.00000
     32     -12.7733      1.00000
     33      -9.2045      1.00000
     34      -9.1942      1.00000
     35      -6.3664      1.00000
     36      -6.3588      1.00000
     37      -5.6590      1.00000
     38      -5.5584      1.00000
     39      -5.1670      1.00000
     40      -5.0509      1.00000
     41      -3.9714      1.00000
     42      -3.8767      1.00000
     43      -3.7132      1.00000
     44      -3.6406      1.00000
     45      -3.2147      1.00000
     46      -3.2034      1.00000
     47      -2.7087      1.00000
     48      -2.7003      1.00000
     49      -2.5596      1.00000
     50      -2.5498      1.00000
     51      -1.5433      0.94060
     52      -1.5152      0.77767
     53       0.0502      0.00000
     54       0.1020      0.00000
     55       0.4378      0.00000
     56       0.4456      0.00000
     57       1.0507      0.00000
     58       1.0643      0.00000
     59       1.6059      0.00000
     60       1.6211      0.00000
     61       1.8165      0.00000
     62       1.8522      0.00000
     63       2.3640      0.00000
     64       2.4599      0.00000
     65       2.8322      0.00000
     66       2.9205      0.00000
     67       3.1773      0.00000
     68       3.1969      0.00000
     69       3.5425      0.00000
     70       3.5745      0.00000
     71       3.9627      0.00000
     72       3.9945      0.00000

 k-point    56 :       0.4375    0.1875   -0.0000
  band No.  band energies     occupation 
      1     -36.3675      1.00000
      2     -36.3662      1.00000
      3     -36.2591      1.00000
      4     -36.2590      1.00000
      5     -23.9390      1.00000
      6     -23.9370      1.00000
      7     -23.9324      1.00000
      8     -23.9294      1.00000
      9     -22.9198      1.00000
     10     -22.9172      1.00000
     11     -22.9038      1.00000
     12     -22.9012      1.00000
     13     -22.8799      1.00000
     14     -22.8792      1.00000
     15     -19.3997      1.00000
     16     -19.3315      1.00000
     17     -19.2367      1.00000
     18     -19.2178      1.00000
     19     -18.4050      1.00000
     20     -18.3597      1.00000
     21     -18.2653      1.00000
     22     -18.1790      1.00000
     23     -18.1133      1.00000
     24     -18.0520      1.00000
     25     -17.9433      1.00000
     26     -17.9019      1.00000
     27     -14.2987      1.00000
     28     -14.2964      1.00000
     29     -14.0762      1.00000
     30     -14.0675      1.00000
     31     -12.8031      1.00000
     32     -12.7731      1.00000
     33      -9.2045      1.00000
     34      -9.1942      1.00000
     35      -6.3664      1.00000
     36      -6.3588      1.00000
     37      -5.6590      1.00000
     38      -5.5584      1.00000
     39      -5.1670      1.00000
     40      -5.0509      1.00000
     41      -3.9714      1.00000
     42      -3.8767      1.00000
     43      -3.7132      1.00000
     44      -3.6406      1.00000
     45      -3.2151      1.00000
     46      -3.2031      1.00000
     47      -2.7089      1.00000
     48      -2.7001      1.00000
     49      -2.5591      1.00000
     50      -2.5503      1.00000
     51      -1.5433      0.94062
     52      -1.5152      0.77765
     53       0.0609      0.00000
     54       0.0916      0.00000
     55       0.4365      0.00000
     56       0.4467      0.00000
     57       1.0431      0.00000
     58       1.0715      0.00000
     59       1.6055      0.00000
     60       1.6213      0.00000
     61       1.8197      0.00000
     62       1.8494      0.00000
     63       2.3645      0.00000
     64       2.4594      0.00000
     65       2.8308      0.00000
     66       2.9222      0.00000
     67       3.1851      0.00000
     68       3.1891      0.00000
     69       3.5422      0.00000
     70       3.5749      0.00000
     71       3.9653      0.00000
     72       3.9920      0.00000

 k-point    57 :       0.5000    0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2601      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9325      1.00000
      8     -23.9297      1.00000
      9     -22.9198      1.00000
     10     -22.9165      1.00000
     11     -22.9032      1.00000
     12     -22.9011      1.00000
     13     -22.8807      1.00000
     14     -22.8801      1.00000
     15     -19.3971      1.00000
     16     -19.3210      1.00000
     17     -19.2307      1.00000
     18     -19.2045      1.00000
     19     -18.3981      1.00000
     20     -18.3360      1.00000
     21     -18.2702      1.00000
     22     -18.1734      1.00000
     23     -18.0939      1.00000
     24     -18.0487      1.00000
     25     -17.9319      1.00000
     26     -17.8986      1.00000
     27     -14.4268      1.00000
     28     -14.4216      1.00000
     29     -14.0718      1.00000
     30     -14.0623      1.00000
     31     -12.8140      1.00000
     32     -12.7844      1.00000
     33      -9.0969      1.00000
     34      -9.0872      1.00000
     35      -6.2543      1.00000
     36      -6.2458      1.00000
     37      -5.6400      1.00000
     38      -5.5621      1.00000
     39      -4.9821      1.00000
     40      -4.8894      1.00000
     41      -4.0626      1.00000
     42      -3.9971      1.00000
     43      -3.5970      1.00000
     44      -3.5408      1.00000
     45      -3.2058      1.00000
     46      -3.1871      1.00000
     47      -2.7739      1.00000
     48      -2.7699      1.00000
     49      -2.5556      1.00000
     50      -2.5519      1.00000
     51      -1.4501      0.14095
     52      -1.4205      0.02788
     53      -0.1272      0.00000
     54      -0.1017      0.00000
     55       0.4301      0.00000
     56       0.4418      0.00000
     57       1.0570      0.00000
     58       1.0937      0.00000
     59       1.5552      0.00000
     60       1.6056      0.00000
     61       1.9072      0.00000
     62       1.9529      0.00000
     63       2.4284      0.00000
     64       2.4924      0.00000
     65       2.7390      0.00000
     66       2.8108      0.00000
     67       3.1838      0.00000
     68       3.1948      0.00000
     69       3.3947      0.00000
     70       3.4251      0.00000
     71       3.7803      0.00000
     72       3.8061      0.00000

 k-point    58 :      -0.4375    0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3754      1.00000
      2     -36.3740      1.00000
      3     -36.2623      1.00000
      4     -36.2621      1.00000
      5     -23.9393      1.00000
      6     -23.9360      1.00000
      7     -23.9327      1.00000
      8     -23.9303      1.00000
      9     -22.9195      1.00000
     10     -22.9153      1.00000
     11     -22.9022      1.00000
     12     -22.9011      1.00000
     13     -22.8822      1.00000
     14     -22.8816      1.00000
     15     -19.3916      1.00000
     16     -19.3091      1.00000
     17     -19.2110      1.00000
     18     -19.1820      1.00000
     19     -18.3876      1.00000
     20     -18.2955      1.00000
     21     -18.2717      1.00000
     22     -18.1616      1.00000
     23     -18.0629      1.00000
     24     -18.0366      1.00000
     25     -17.9137      1.00000
     26     -17.8928      1.00000
     27     -14.6120      1.00000
     28     -14.6045      1.00000
     29     -14.1035      1.00000
     30     -14.0921      1.00000
     31     -12.8343      1.00000
     32     -12.8057      1.00000
     33      -8.9192      1.00000
     34      -8.9109      1.00000
     35      -6.0258      1.00000
     36      -6.0160      1.00000
     37      -5.5959      1.00000
     38      -5.5341      1.00000
     39      -4.6796      1.00000
     40      -4.6081      1.00000
     41      -4.0881      1.00000
     42      -4.0327      1.00000
     43      -3.5525      1.00000
     44      -3.4841      1.00000
     45      -3.2025      1.00000
     46      -3.1830      1.00000
     47      -2.8477      1.00000
     48      -2.8378      1.00000
     49      -2.5664      1.00000
     50      -2.5605      1.00000
     51      -1.3089      0.00000
     52      -1.2783      0.00000
     53      -0.4190      0.00000
     54      -0.4036      0.00000
     55       0.4598      0.00000
     56       0.4688      0.00000
     57       1.0597      0.00000
     58       1.1198      0.00000
     59       1.5879      0.00000
     60       1.6797      0.00000
     61       1.9028      0.00000
     62       1.9893      0.00000
     63       2.4141      0.00000
     64       2.4444      0.00000
     65       2.6087      0.00000
     66       2.6208      0.00000
     67       2.9832      0.00000
     68       3.0066      0.00000
     69       3.2761      0.00000
     70       3.3213      0.00000
     71       3.5870      0.00000
     72       3.6140      0.00000

 k-point    59 :      -0.3750    0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3820      1.00000
      2     -36.3807      1.00000
      3     -36.2651      1.00000
      4     -36.2648      1.00000
      5     -23.9392      1.00000
      6     -23.9358      1.00000
      7     -23.9328      1.00000
      8     -23.9309      1.00000
      9     -22.9187      1.00000
     10     -22.9140      1.00000
     11     -22.9013      1.00000
     12     -22.9011      1.00000
     13     -22.8842      1.00000
     14     -22.8835      1.00000
     15     -19.3841      1.00000
     16     -19.3031      1.00000
     17     -19.1765      1.00000
     18     -19.1529      1.00000
     19     -18.3774      1.00000
     20     -18.2820      1.00000
     21     -18.2287      1.00000
     22     -18.1414      1.00000
     23     -18.0313      1.00000
     24     -18.0102      1.00000
     25     -17.8937      1.00000
     26     -17.8854      1.00000
     27     -14.8127      1.00000
     28     -14.8038      1.00000
     29     -14.1681      1.00000
     30     -14.1549      1.00000
     31     -12.8615      1.00000
     32     -12.8349      1.00000
     33      -8.7255      1.00000
     34      -8.7194      1.00000
     35      -5.7134      1.00000
     36      -5.6943      1.00000
     37      -5.4897      1.00000
     38      -5.4202      1.00000
     39      -4.3791      1.00000
     40      -4.3132      1.00000
     41      -3.9606      1.00000
     42      -3.9281      1.00000
     43      -3.5441      1.00000
     44      -3.4580      1.00000
     45      -3.2642      1.00000
     46      -3.2470      1.00000
     47      -2.8647      1.00000
     48      -2.8402      1.00000
     49      -2.5879      1.00000
     50      -2.5802      1.00000
     51      -1.1955      0.00000
     52      -1.1645      0.00000
     53      -0.7309      0.00000
     54      -0.7230      0.00000
     55       0.5111      0.00000
     56       0.5214      0.00000
     57       1.1589      0.00000
     58       1.2275      0.00000
     59       1.6279      0.00000
     60       1.6945      0.00000
     61       1.8220      0.00000
     62       1.8591      0.00000
     63       2.1892      0.00000
     64       2.2468      0.00000
     65       2.4058      0.00000
     66       2.4623      0.00000
     67       2.7942      0.00000
     68       2.8408      0.00000
     69       3.2291      0.00000
     70       3.2415      0.00000
     71       3.3276      0.00000
     72       3.3890      0.00000

 k-point    60 :      -0.3125    0.1875   -0.0000
  band No.  band energies     occupation 
      1     -36.3890      1.00000
      2     -36.3877      1.00000
      3     -36.2681      1.00000
      4     -36.2679      1.00000
      5     -23.9389      1.00000
      6     -23.9363      1.00000
      7     -23.9328      1.00000
      8     -23.9312      1.00000
      9     -22.9175      1.00000
     10     -22.9129      1.00000
     11     -22.9011      1.00000
     12     -22.9004      1.00000
     13     -22.8862      1.00000
     14     -22.8855      1.00000
     15     -19.3765      1.00000
     16     -19.3024      1.00000
     17     -19.1348      1.00000
     18     -19.1204      1.00000
     19     -18.3682      1.00000
     20     -18.2813      1.00000
     21     -18.1648      1.00000
     22     -18.1118      1.00000
     23     -18.0042      1.00000
     24     -17.9744      1.00000
     25     -17.8797      1.00000
     26     -17.8735      1.00000
     27     -15.0008      1.00000
     28     -14.9914      1.00000
     29     -14.2483      1.00000
     30     -14.2342      1.00000
     31     -12.8925      1.00000
     32     -12.8685      1.00000
     33      -8.5608      1.00000
     34      -8.5575      1.00000
     35      -5.4620      1.00000
     36      -5.4485      1.00000
     37      -5.1526      1.00000
     38      -5.0814      1.00000
     39      -4.2251      1.00000
     40      -4.1168      1.00000
     41      -3.7808      1.00000
     42      -3.7076      1.00000
     43      -3.4508      1.00000
     44      -3.3759      1.00000
     45      -3.3263      1.00000
     46      -3.3090      1.00000
     47      -2.8563      1.00000
     48      -2.8211      1.00000
     49      -2.6105      1.00000
     50      -2.6037      1.00000
     51      -1.1655      0.00000
     52      -1.1387      0.00000
     53      -1.0119      0.00000
     54      -1.0061      0.00000
     55       0.5796      0.00000
     56       0.5953      0.00000
     57       1.3152      0.00000
     58       1.3487      0.00000
     59       1.4618      0.00000
     60       1.5595      0.00000
     61       1.6753      0.00000
     62       1.7035      0.00000
     63       1.9932      0.00000
     64       2.0191      0.00000
     65       2.3858      0.00000
     66       2.4368      0.00000
     67       2.6636      0.00000
     68       2.7065      0.00000
     69       2.9909      0.00000
     70       3.0115      0.00000
     71       3.1296      0.00000
     72       3.1947      0.00000

 k-point    61 :      -0.2500    0.1875   -0.0000
  band No.  band energies     occupation 
      1     -36.3955      1.00000
      2     -36.3942      1.00000
      3     -36.2709      1.00000
      4     -36.2707      1.00000
      5     -23.9385      1.00000
      6     -23.9371      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9162      1.00000
     10     -22.9122      1.00000
     11     -22.9007      1.00000
     12     -22.8999      1.00000
     13     -22.8880      1.00000
     14     -22.8874      1.00000
     15     -19.3699      1.00000
     16     -19.3050      1.00000
     17     -19.0952      1.00000
     18     -19.0892      1.00000
     19     -18.3585      1.00000
     20     -18.2811      1.00000
     21     -18.1041      1.00000
     22     -18.0780      1.00000
     23     -17.9789      1.00000
     24     -17.9412      1.00000
     25     -17.8723      1.00000
     26     -17.8605      1.00000
     27     -15.1564      1.00000
     28     -15.1472      1.00000
     29     -14.3263      1.00000
     30     -14.3120      1.00000
     31     -12.9231      1.00000
     32     -12.9018      1.00000
     33      -8.4464      1.00000
     34      -8.4451      1.00000
     35      -5.2431      1.00000
     36      -5.2202      1.00000
     37      -4.6896      1.00000
     38      -4.6071      1.00000
     39      -4.1495      1.00000
     40      -3.9823      1.00000
     41      -3.7668      1.00000
     42      -3.6831      1.00000
     43      -3.4131      1.00000
     44      -3.4047      1.00000
     45      -3.1154      1.00000
     46      -3.0757      1.00000
     47      -2.8618      1.00000
     48      -2.8236      1.00000
     49      -2.6155      1.00000
     50      -2.6123      1.00000
     51      -1.2834      0.00000
     52      -1.2670      0.00000
     53      -1.1383      0.00000
     54      -1.1151      0.00000
     55       0.6550      0.00000
     56       0.6751      0.00000
     57       1.0423      0.00000
     58       1.0527      0.00000
     59       1.3935      0.00000
     60       1.4116      0.00000
     61       1.8375      0.00000
     62       1.9021      0.00000
     63       1.9635      0.00000
     64       1.9889      0.00000
     65       2.3811      0.00000
     66       2.4519      0.00000
     67       2.4933      0.00000
     68       2.5303      0.00000
     69       2.7714      0.00000
     70       2.8124      0.00000
     71       2.8629      0.00000
     72       2.9080      0.00000

 k-point    62 :      -0.1875    0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.4004      1.00000
      2     -36.3992      1.00000
      3     -36.2731      1.00000
      4     -36.2729      1.00000
      5     -23.9382      1.00000
      6     -23.9377      1.00000
      7     -23.9327      1.00000
      8     -23.9313      1.00000
      9     -22.9152      1.00000
     10     -22.9119      1.00000
     11     -22.9000      1.00000
     12     -22.8994      1.00000
     13     -22.8893      1.00000
     14     -22.8890      1.00000
     15     -19.3649      1.00000
     16     -19.3088      1.00000
     17     -19.0649      1.00000
     18     -19.0644      1.00000
     19     -18.3486      1.00000
     20     -18.2815      1.00000
     21     -18.0589      1.00000
     22     -18.0483      1.00000
     23     -17.9559      1.00000
     24     -17.9153      1.00000
     25     -17.8681      1.00000
     26     -17.8534      1.00000
     27     -15.2665      1.00000
     28     -15.2579      1.00000
     29     -14.3869      1.00000
     30     -14.3732      1.00000
     31     -12.9478      1.00000
     32     -12.9287      1.00000
     33      -8.3816      1.00000
     34      -8.3800      1.00000
     35      -4.9846      1.00000
     36      -4.9348      1.00000
     37      -4.3582      1.00000
     38      -4.3057      1.00000
     39      -4.0270      1.00000
     40      -3.8423      1.00000
     41      -3.7508      1.00000
     42      -3.7166      1.00000
     43      -3.4393      1.00000
     44      -3.4369      1.00000
     45      -2.9611      1.00000
     46      -2.9455      1.00000
     47      -2.8645      1.00000
     48      -2.8420      1.00000
     49      -2.6052      1.00000
     50      -2.6028      1.00000
     51      -1.4486      0.13196
     52      -1.4267      0.04119
     53      -1.0924      0.00000
     54      -1.0690      0.00000
     55       0.6455      0.00000
     56       0.6761      0.00000
     57       1.0187      0.00000
     58       1.0367      0.00000
     59       1.2219      0.00000
     60       1.2298      0.00000
     61       1.8337      0.00000
     62       1.8612      0.00000
     63       2.0941      0.00000
     64       2.1270      0.00000
     65       2.3202      0.00000
     66       2.3318      0.00000
     67       2.4002      0.00000
     68       2.4263      0.00000
     69       2.5993      0.00000
     70       2.6095      0.00000
     71       2.6549      0.00000
     72       2.6703      0.00000

 k-point    63 :      -0.1250    0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.4031      1.00000
      2     -36.4018      1.00000
      3     -36.2743      1.00000
      4     -36.2741      1.00000
      5     -23.9384      1.00000
      6     -23.9377      1.00000
      7     -23.9328      1.00000
      8     -23.9313      1.00000
      9     -22.9149      1.00000
     10     -22.9118      1.00000
     11     -22.8995      1.00000
     12     -22.8988      1.00000
     13     -22.8903      1.00000
     14     -22.8899      1.00000
     15     -19.3621      1.00000
     16     -19.3117      1.00000
     17     -19.0506      1.00000
     18     -19.0486      1.00000
     19     -18.3420      1.00000
     20     -18.2819      1.00000
     21     -18.0400      1.00000
     22     -18.0275      1.00000
     23     -17.9406      1.00000
     24     -17.8972      1.00000
     25     -17.8707      1.00000
     26     -17.8503      1.00000
     27     -15.3232      1.00000
     28     -15.3152      1.00000
     29     -14.4198      1.00000
     30     -14.4067      1.00000
     31     -12.9618      1.00000
     32     -12.9439      1.00000
     33      -8.3539      1.00000
     34      -8.3516      1.00000
     35      -4.7500      1.00000
     36      -4.6456      1.00000
     37      -4.3170      1.00000
     38      -4.2481      1.00000
     39      -4.1094      1.00000
     40      -3.9190      1.00000
     41      -3.5474      1.00000
     42      -3.5216      1.00000
     43      -3.3462      1.00000
     44      -3.3213      1.00000
     45      -3.0637      1.00000
     46      -3.0288      1.00000
     47      -2.8596      1.00000
     48      -2.8280      1.00000
     49      -2.6388      1.00000
     50      -2.6377      1.00000
     51      -1.5349      0.90692
     52      -1.5067      0.70007
     53      -1.0219      0.00000
     54      -0.9815      0.00000
     55       0.7732      0.00000
     56       0.8374      0.00000
     57       1.0542      0.00000
     58       1.0808      0.00000
     59       1.1775      0.00000
     60       1.2094      0.00000
     61       1.5228      0.00000
     62       1.5695      0.00000
     63       1.9309      0.00000
     64       2.0543      0.00000
     65       2.1430      0.00000
     66       2.1547      0.00000
     67       2.3968      0.00000
     68       2.4470      0.00000
     69       2.5537      0.00000
     70       2.5767      0.00000
     71       2.6739      0.00000
     72       2.6957      0.00000

 k-point    64 :      -0.0625    0.1875   -0.0000
  band No.  band energies     occupation 
      1     -36.4031      1.00000
      2     -36.4018      1.00000
      3     -36.2743      1.00000
      4     -36.2741      1.00000
      5     -23.9384      1.00000
      6     -23.9377      1.00000
      7     -23.9328      1.00000
      8     -23.9313      1.00000
      9     -22.9149      1.00000
     10     -22.9118      1.00000
     11     -22.8995      1.00000
     12     -22.8988      1.00000
     13     -22.8903      1.00000
     14     -22.8899      1.00000
     15     -19.3620      1.00000
     16     -19.3119      1.00000
     17     -19.0506      1.00000
     18     -19.0486      1.00000
     19     -18.3421      1.00000
     20     -18.2819      1.00000
     21     -18.0399      1.00000
     22     -18.0275      1.00000
     23     -17.9406      1.00000
     24     -17.8972      1.00000
     25     -17.8706      1.00000
     26     -17.8503      1.00000
     27     -15.3233      1.00000
     28     -15.3152      1.00000
     29     -14.4198      1.00000
     30     -14.4067      1.00000
     31     -12.9615      1.00000
     32     -12.9442      1.00000
     33      -8.3539      1.00000
     34      -8.3516      1.00000
     35      -4.7500      1.00000
     36      -4.6456      1.00000
     37      -4.3169      1.00000
     38      -4.2482      1.00000
     39      -4.1093      1.00000
     40      -3.9190      1.00000
     41      -3.5458      1.00000
     42      -3.5238      1.00000
     43      -3.3443      1.00000
     44      -3.3225      1.00000
     45      -3.0641      1.00000
     46      -3.0287      1.00000
     47      -2.8594      1.00000
     48      -2.8281      1.00000
     49      -2.6392      1.00000
     50      -2.6374      1.00000
     51      -1.5381      0.92104
     52      -1.5034      0.66738
     53      -1.0219      0.00000
     54      -0.9815      0.00000
     55       0.7740      0.00000
     56       0.8364      0.00000
     57       1.0531      0.00000
     58       1.0810      0.00000
     59       1.1778      0.00000
     60       1.2106      0.00000
     61       1.5199      0.00000
     62       1.5717      0.00000
     63       1.9314      0.00000
     64       2.0542      0.00000
     65       2.1385      0.00000
     66       2.1589      0.00000
     67       2.3967      0.00000
     68       2.4473      0.00000
     69       2.5530      0.00000
     70       2.5774      0.00000
     71       2.6753      0.00000
     72       2.6942      0.00000

 k-point    65 :      -0.0000    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3922      1.00000
      2     -36.3909      1.00000
      3     -36.2695      1.00000
      4     -36.2692      1.00000
      5     -23.9385      1.00000
      6     -23.9374      1.00000
      7     -23.9322      1.00000
      8     -23.9313      1.00000
      9     -22.9169      1.00000
     10     -22.9132      1.00000
     11     -22.9008      1.00000
     12     -22.9003      1.00000
     13     -22.8866      1.00000
     14     -22.8860      1.00000
     15     -19.3729      1.00000
     16     -19.3048      1.00000
     17     -19.1174      1.00000
     18     -19.1069      1.00000
     19     -18.3652      1.00000
     20     -18.2815      1.00000
     21     -18.1242      1.00000
     22     -18.1007      1.00000
     23     -17.9966      1.00000
     24     -17.9611      1.00000
     25     -17.8704      1.00000
     26     -17.8620      1.00000
     27     -15.0779      1.00000
     28     -15.0686      1.00000
     29     -14.2869      1.00000
     30     -14.2729      1.00000
     31     -12.9063      1.00000
     32     -12.8872      1.00000
     33      -8.5091      1.00000
     34      -8.5081      1.00000
     35      -5.5202      1.00000
     36      -5.5120      1.00000
     37      -4.7165      1.00000
     38      -4.6450      1.00000
     39      -4.1044      1.00000
     40      -4.0336      1.00000
     41      -3.9042      1.00000
     42      -3.8586      1.00000
     43      -3.3813      1.00000
     44      -3.3725      1.00000
     45      -3.0081      1.00000
     46      -3.0024      1.00000
     47      -2.8646      1.00000
     48      -2.8329      1.00000
     49      -2.5826      1.00000
     50      -2.5795      1.00000
     51      -1.3691      0.00038
     52      -1.3619      0.00018
     53      -1.1668      0.00000
     54      -1.1232      0.00000
     55       0.5120      0.00000
     56       0.5131      0.00000
     57       0.9225      0.00000
     58       0.9598      0.00000
     59       1.4488      0.00000
     60       1.4690      0.00000
     61       2.0254      0.00000
     62       2.0399      0.00000
     63       2.2359      0.00000
     64       2.2534      0.00000
     65       2.3917      0.00000
     66       2.4265      0.00000
     67       2.6419      0.00000
     68       2.6522      0.00000
     69       2.8438      0.00000
     70       2.8513      0.00000
     71       2.8988      0.00000
     72       2.9174      0.00000

 k-point    66 :       0.0625    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3872      1.00000
      2     -36.3859      1.00000
      3     -36.2673      1.00000
      4     -36.2671      1.00000
      5     -23.9389      1.00000
      6     -23.9371      1.00000
      7     -23.9321      1.00000
      8     -23.9311      1.00000
      9     -22.9182      1.00000
     10     -22.9142      1.00000
     11     -22.9009      1.00000
     12     -22.9005      1.00000
     13     -22.8850      1.00000
     14     -22.8843      1.00000
     15     -19.3780      1.00000
     16     -19.3048      1.00000
     17     -19.1487      1.00000
     18     -19.1315      1.00000
     19     -18.3719      1.00000
     20     -18.2830      1.00000
     21     -18.1676      1.00000
     22     -18.1255      1.00000
     23     -18.0159      1.00000
     24     -17.9854      1.00000
     25     -17.8757      1.00000
     26     -17.8701      1.00000
     27     -14.9533      1.00000
     28     -14.9441      1.00000
     29     -14.2288      1.00000
     30     -14.2154      1.00000
     31     -12.8835      1.00000
     32     -12.8636      1.00000
     33      -8.6154      1.00000
     34      -8.6122      1.00000
     35      -5.7458      1.00000
     36      -5.7401      1.00000
     37      -4.9660      1.00000
     38      -4.8900      1.00000
     39      -4.2882      1.00000
     40      -4.1715      1.00000
     41      -3.8898      1.00000
     42      -3.8000      1.00000
     43      -3.3637      1.00000
     44      -3.3406      1.00000
     45      -3.1448      1.00000
     46      -3.1350      1.00000
     47      -2.8465      1.00000
     48      -2.8131      1.00000
     49      -2.5824      1.00000
     50      -2.5788      1.00000
     51      -1.4339      0.06248
     52      -1.4171      0.02229
     53      -0.9897      0.00000
     54      -0.9367      0.00000
     55       0.4245      0.00000
     56       0.4319      0.00000
     57       1.0611      0.00000
     58       1.1000      0.00000
     59       1.5031      0.00000
     60       1.5264      0.00000
     61       1.9417      0.00000
     62       1.9804      0.00000
     63       2.1668      0.00000
     64       2.2250      0.00000
     65       2.3953      0.00000
     66       2.4614      0.00000
     67       2.8114      0.00000
     68       2.8367      0.00000
     69       3.0111      0.00000
     70       3.0396      0.00000
     71       3.0974      0.00000
     72       3.1098      0.00000

 k-point    67 :       0.1250    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3813      1.00000
      2     -36.3800      1.00000
      3     -36.2648      1.00000
      4     -36.2646      1.00000
      5     -23.9393      1.00000
      6     -23.9365      1.00000
      7     -23.9322      1.00000
      8     -23.9308      1.00000
      9     -22.9192      1.00000
     10     -22.9150      1.00000
     11     -22.9012      1.00000
     12     -22.9009      1.00000
     13     -22.8835      1.00000
     14     -22.8828      1.00000
     15     -19.3842      1.00000
     16     -19.3061      1.00000
     17     -19.1825      1.00000
     18     -19.1580      1.00000
     19     -18.3784      1.00000
     20     -18.2854      1.00000
     21     -18.2239      1.00000
     22     -18.1470      1.00000
     23     -18.0366      1.00000
     24     -18.0127      1.00000
     25     -17.8896      1.00000
     26     -17.8826      1.00000
     27     -14.7928      1.00000
     28     -14.7841      1.00000
     29     -14.1630      1.00000
     30     -14.1505      1.00000
     31     -12.8580      1.00000
     32     -12.8350      1.00000
     33      -8.7577      1.00000
     34      -8.7519      1.00000
     35      -5.9122      1.00000
     36      -5.9021      1.00000
     37      -5.2855      1.00000
     38      -5.2117      1.00000
     39      -4.4870      1.00000
     40      -4.3769      1.00000
     41      -3.9185      1.00000
     42      -3.8323      1.00000
     43      -3.4959      1.00000
     44      -3.4097      1.00000
     45      -3.2503      1.00000
     46      -3.2146      1.00000
     47      -2.8377      1.00000
     48      -2.8136      1.00000
     49      -2.5796      1.00000
     50      -2.5731      1.00000
     51      -1.3657      0.00027
     52      -1.3389      0.00001
     53      -0.7388      0.00000
     54      -0.6772      0.00000
     55       0.3989      0.00000
     56       0.4069      0.00000
     57       1.2823      0.00000
     58       1.3494      0.00000
     59       1.4333      0.00000
     60       1.4940      0.00000
     61       1.8448      0.00000
     62       1.8938      0.00000
     63       2.2471      0.00000
     64       2.2688      0.00000
     65       2.4857      0.00000
     66       2.5247      0.00000
     67       2.8828      0.00000
     68       2.9050      0.00000
     69       3.1700      0.00000
     70       3.1994      0.00000
     71       3.3561      0.00000
     72       3.3613      0.00000

 k-point    68 :       0.1875    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3754      1.00000
      2     -36.3740      1.00000
      3     -36.2623      1.00000
      4     -36.2621      1.00000
      5     -23.9393      1.00000
      6     -23.9360      1.00000
      7     -23.9327      1.00000
      8     -23.9303      1.00000
      9     -22.9195      1.00000
     10     -22.9153      1.00000
     11     -22.9022      1.00000
     12     -22.9011      1.00000
     13     -22.8822      1.00000
     14     -22.8816      1.00000
     15     -19.3911      1.00000
     16     -19.3096      1.00000
     17     -19.2111      1.00000
     18     -19.1819      1.00000
     19     -18.3880      1.00000
     20     -18.2956      1.00000
     21     -18.2714      1.00000
     22     -18.1614      1.00000
     23     -18.0628      1.00000
     24     -18.0366      1.00000
     25     -17.9136      1.00000
     26     -17.8929      1.00000
     27     -14.6121      1.00000
     28     -14.6045      1.00000
     29     -14.1035      1.00000
     30     -14.0921      1.00000
     31     -12.8336      1.00000
     32     -12.8064      1.00000
     33      -8.9192      1.00000
     34      -8.9109      1.00000
     35      -6.0259      1.00000
     36      -6.0160      1.00000
     37      -5.5958      1.00000
     38      -5.5342      1.00000
     39      -4.6797      1.00000
     40      -4.6080      1.00000
     41      -4.0881      1.00000
     42      -4.0328      1.00000
     43      -3.5524      1.00000
     44      -3.4841      1.00000
     45      -3.2030      1.00000
     46      -3.1825      1.00000
     47      -2.8488      1.00000
     48      -2.8367      1.00000
     49      -2.5670      1.00000
     50      -2.5599      1.00000
     51      -1.3088      0.00000
     52      -1.2783      0.00000
     53      -0.4459      0.00000
     54      -0.3764      0.00000
     55       0.4609      0.00000
     56       0.4676      0.00000
     57       1.0596      0.00000
     58       1.1199      0.00000
     59       1.5876      0.00000
     60       1.6803      0.00000
     61       1.9056      0.00000
     62       1.9857      0.00000
     63       2.4176      0.00000
     64       2.4420      0.00000
     65       2.6103      0.00000
     66       2.6181      0.00000
     67       2.9865      0.00000
     68       3.0036      0.00000
     69       3.2781      0.00000
     70       3.3186      0.00000
     71       3.5905      0.00000
     72       3.6110      0.00000

 k-point    69 :       0.2500    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2600      1.00000
      5     -23.9390      1.00000
      6     -23.9358      1.00000
      7     -23.9331      1.00000
      8     -23.9299      1.00000
      9     -22.9190      1.00000
     10     -22.9153      1.00000
     11     -22.9039      1.00000
     12     -22.9015      1.00000
     13     -22.8813      1.00000
     14     -22.8806      1.00000
     15     -19.3975      1.00000
     16     -19.3158      1.00000
     17     -19.2288      1.00000
     18     -19.2007      1.00000
     19     -18.4022      1.00000
     20     -18.3391      1.00000
     21     -18.2706      1.00000
     22     -18.1706      1.00000
     23     -18.0940      1.00000
     24     -18.0479      1.00000
     25     -17.9411      1.00000
     26     -17.9015      1.00000
     27     -14.4328      1.00000
     28     -14.4271      1.00000
     29     -14.0659      1.00000
     30     -14.0556      1.00000
     31     -12.8135      1.00000
     32     -12.7824      1.00000
     33      -9.0737      1.00000
     34      -9.0632      1.00000
     35      -6.1108      1.00000
     36      -6.1035      1.00000
     37      -5.8163      1.00000
     38      -5.7649      1.00000
     39      -4.9526      1.00000
     40      -4.9207      1.00000
     41      -4.1474      1.00000
     42      -4.1034      1.00000
     43      -3.5785      1.00000
     44      -3.5321      1.00000
     45      -3.1426      1.00000
     46      -3.1308      1.00000
     47      -2.8536      1.00000
     48      -2.8503      1.00000
     49      -2.5614      1.00000
     50      -2.5549      1.00000
     51      -1.3295      0.00000
     52      -1.3011      0.00000
     53      -0.1587      0.00000
     54      -0.0865      0.00000
     55       0.5781      0.00000
     56       0.5881      0.00000
     57       0.9538      0.00000
     58       1.0097      0.00000
     59       1.4808      0.00000
     60       1.5332      0.00000
     61       2.0620      0.00000
     62       2.0955      0.00000
     63       2.5502      0.00000
     64       2.5939      0.00000
     65       2.7342      0.00000
     66       2.8001      0.00000
     67       3.0909      0.00000
     68       3.1246      0.00000
     69       3.3735      0.00000
     70       3.4062      0.00000
     71       3.7365      0.00000
     72       3.7596      0.00000

 k-point    70 :       0.3125    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3669      1.00000
      2     -36.3655      1.00000
      3     -36.2589      1.00000
      4     -36.2587      1.00000
      5     -23.9384      1.00000
      6     -23.9361      1.00000
      7     -23.9334      1.00000
      8     -23.9296      1.00000
      9     -22.9180      1.00000
     10     -22.9152      1.00000
     11     -22.9056      1.00000
     12     -22.9019      1.00000
     13     -22.8806      1.00000
     14     -22.8800      1.00000
     15     -19.4022      1.00000
     16     -19.3226      1.00000
     17     -19.2351      1.00000
     18     -19.2133      1.00000
     19     -18.4157      1.00000
     20     -18.3730      1.00000
     21     -18.2582      1.00000
     22     -18.1793      1.00000
     23     -18.1195      1.00000
     24     -18.0472      1.00000
     25     -17.9656      1.00000
     26     -17.9073      1.00000
     27     -14.2833      1.00000
     28     -14.2801      1.00000
     29     -14.0624      1.00000
     30     -14.0525      1.00000
     31     -12.8003      1.00000
     32     -12.7665      1.00000
     33      -9.1878      1.00000
     34      -9.1757      1.00000
     35      -6.1980      1.00000
     36      -6.1876      1.00000
     37      -5.8802      1.00000
     38      -5.8263      1.00000
     39      -5.2540      1.00000
     40      -5.2109      1.00000
     41      -4.0685      1.00000
     42      -4.0137      1.00000
     43      -3.6578      1.00000
     44      -3.6199      1.00000
     45      -3.1155      1.00000
     46      -3.1050      1.00000
     47      -2.8219      1.00000
     48      -2.8209      1.00000
     49      -2.5698      1.00000
     50      -2.5628      1.00000
     51      -1.3870      0.00212
     52      -1.3643      0.00023
     53       0.0599      0.00000
     54       0.1223      0.00000
     55       0.6532      0.00000
     56       0.6646      0.00000
     57       1.0087      0.00000
     58       1.0271      0.00000
     59       1.4543      0.00000
     60       1.4821      0.00000
     61       1.9760      0.00000
     62       1.9971      0.00000
     63       2.6041      0.00000
     64       2.6339      0.00000
     65       2.8477      0.00000
     66       2.9138      0.00000
     67       3.0148      0.00000
     68       3.0723      0.00000
     69       3.5195      0.00000
     70       3.5817      0.00000
     71       4.0425      0.00000
     72       4.0739      0.00000

 k-point    71 :       0.3750    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3657      1.00000
      2     -36.3643      1.00000
      3     -36.2584      1.00000
      4     -36.2582      1.00000
      5     -23.9381      1.00000
      6     -23.9364      1.00000
      7     -23.9335      1.00000
      8     -23.9294      1.00000
      9     -22.9174      1.00000
     10     -22.9151      1.00000
     11     -22.9064      1.00000
     12     -22.9021      1.00000
     13     -22.8804      1.00000
     14     -22.8798      1.00000
     15     -19.4041      1.00000
     16     -19.3255      1.00000
     17     -19.2356      1.00000
     18     -19.2182      1.00000
     19     -18.4212      1.00000
     20     -18.3852      1.00000
     21     -18.2509      1.00000
     22     -18.1844      1.00000
     23     -18.1295      1.00000
     24     -18.0438      1.00000
     25     -17.9768      1.00000
     26     -17.9094      1.00000
     27     -14.2130      1.00000
     28     -14.2114      1.00000
     29     -14.0777      1.00000
     30     -14.0665      1.00000
     31     -12.7958      1.00000
     32     -12.7609      1.00000
     33      -9.2302      1.00000
     34      -9.2175      1.00000
     35      -6.2376      1.00000
     36      -6.2288      1.00000
     37      -5.8666      1.00000
     38      -5.8017      1.00000
     39      -5.4015      1.00000
     40      -5.3405      1.00000
     41      -3.9953      1.00000
     42      -3.9205      1.00000
     43      -3.7382      1.00000
     44      -3.6876      1.00000
     45      -3.1124      1.00000
     46      -3.1022      1.00000
     47      -2.7970      1.00000
     48      -2.7939      1.00000
     49      -2.5782      1.00000
     50      -2.5709      1.00000
     51      -1.4151      0.01941
     52      -1.3961      0.00462
     53       0.1473      0.00000
     54       0.1949      0.00000
     55       0.6615      0.00000
     56       0.6738      0.00000
     57       1.0568      0.00000
     58       1.0823      0.00000
     59       1.4748      0.00000
     60       1.5395      0.00000
     61       1.8563      0.00000
     62       1.9046      0.00000
     63       2.6425      0.00000
     64       2.6766      0.00000
     65       2.8508      0.00000
     66       2.8645      0.00000
     67       2.9405      0.00000
     68       3.0492      0.00000
     69       3.6113      0.00000
     70       3.6899      0.00000
     71       4.2543      0.00000
     72       4.2744      0.00000

 k-point    72 :       0.4375    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3669      1.00000
      2     -36.3655      1.00000
      3     -36.2589      1.00000
      4     -36.2587      1.00000
      5     -23.9384      1.00000
      6     -23.9361      1.00000
      7     -23.9334      1.00000
      8     -23.9296      1.00000
      9     -22.9180      1.00000
     10     -22.9152      1.00000
     11     -22.9056      1.00000
     12     -22.9019      1.00000
     13     -22.8806      1.00000
     14     -22.8800      1.00000
     15     -19.4025      1.00000
     16     -19.3224      1.00000
     17     -19.2350      1.00000
     18     -19.2134      1.00000
     19     -18.4156      1.00000
     20     -18.3731      1.00000
     21     -18.2581      1.00000
     22     -18.1794      1.00000
     23     -18.1196      1.00000
     24     -18.0472      1.00000
     25     -17.9656      1.00000
     26     -17.9073      1.00000
     27     -14.2832      1.00000
     28     -14.2802      1.00000
     29     -14.0624      1.00000
     30     -14.0525      1.00000
     31     -12.8005      1.00000
     32     -12.7663      1.00000
     33      -9.1878      1.00000
     34      -9.1756      1.00000
     35      -6.1980      1.00000
     36      -6.1876      1.00000
     37      -5.8802      1.00000
     38      -5.8263      1.00000
     39      -5.2540      1.00000
     40      -5.2109      1.00000
     41      -4.0685      1.00000
     42      -4.0137      1.00000
     43      -3.6578      1.00000
     44      -3.6199      1.00000
     45      -3.1160      1.00000
     46      -3.1045      1.00000
     47      -2.8230      1.00000
     48      -2.8197      1.00000
     49      -2.5687      1.00000
     50      -2.5639      1.00000
     51      -1.3870      0.00212
     52      -1.3643      0.00023
     53       0.0731      0.00000
     54       0.1092      0.00000
     55       0.6490      0.00000
     56       0.6685      0.00000
     57       1.0091      0.00000
     58       1.0264      0.00000
     59       1.4520      0.00000
     60       1.4842      0.00000
     61       1.9799      0.00000
     62       1.9931      0.00000
     63       2.6038      0.00000
     64       2.6341      0.00000
     65       2.8458      0.00000
     66       2.9163      0.00000
     67       3.0183      0.00000
     68       3.0688      0.00000
     69       3.5199      0.00000
     70       3.5813      0.00000
     71       4.0539      0.00000
     72       4.0626      0.00000

 k-point    73 :       0.5000    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3690      1.00000
      3     -36.2602      1.00000
      4     -36.2600      1.00000
      5     -23.9390      1.00000
      6     -23.9358      1.00000
      7     -23.9331      1.00000
      8     -23.9299      1.00000
      9     -22.9190      1.00000
     10     -22.9154      1.00000
     11     -22.9039      1.00000
     12     -22.9015      1.00000
     13     -22.8812      1.00000
     14     -22.8807      1.00000
     15     -19.3979      1.00000
     16     -19.3154      1.00000
     17     -19.2288      1.00000
     18     -19.2008      1.00000
     19     -18.4019      1.00000
     20     -18.3391      1.00000
     21     -18.2706      1.00000
     22     -18.1708      1.00000
     23     -18.0941      1.00000
     24     -18.0479      1.00000
     25     -17.9411      1.00000
     26     -17.9015      1.00000
     27     -14.4328      1.00000
     28     -14.4271      1.00000
     29     -14.0659      1.00000
     30     -14.0556      1.00000
     31     -12.8139      1.00000
     32     -12.7819      1.00000
     33      -9.0737      1.00000
     34      -9.0632      1.00000
     35      -6.1108      1.00000
     36      -6.1034      1.00000
     37      -5.8163      1.00000
     38      -5.7649      1.00000
     39      -4.9526      1.00000
     40      -4.9207      1.00000
     41      -4.1474      1.00000
     42      -4.1034      1.00000
     43      -3.5785      1.00000
     44      -3.5321      1.00000
     45      -3.1429      1.00000
     46      -3.1304      1.00000
     47      -2.8525      1.00000
     48      -2.8514      1.00000
     49      -2.5601      1.00000
     50      -2.5561      1.00000
     51      -1.3295      0.00000
     52      -1.3011      0.00000
     53      -0.1355      0.00000
     54      -0.1100      0.00000
     55       0.5740      0.00000
     56       0.5921      0.00000
     57       0.9539      0.00000
     58       1.0096      0.00000
     59       1.4798      0.00000
     60       1.5340      0.00000
     61       2.0617      0.00000
     62       2.0953      0.00000
     63       2.5554      0.00000
     64       2.5885      0.00000
     65       2.7320      0.00000
     66       2.8035      0.00000
     67       3.0970      0.00000
     68       3.1188      0.00000
     69       3.3730      0.00000
     70       3.4068      0.00000
     71       3.7354      0.00000
     72       3.7605      0.00000

 k-point    74 :      -0.4375    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3754      1.00000
      2     -36.3740      1.00000
      3     -36.2623      1.00000
      4     -36.2621      1.00000
      5     -23.9393      1.00000
      6     -23.9360      1.00000
      7     -23.9327      1.00000
      8     -23.9303      1.00000
      9     -22.9195      1.00000
     10     -22.9153      1.00000
     11     -22.9022      1.00000
     12     -22.9011      1.00000
     13     -22.8822      1.00000
     14     -22.8816      1.00000
     15     -19.3916      1.00000
     16     -19.3091      1.00000
     17     -19.2110      1.00000
     18     -19.1820      1.00000
     19     -18.3876      1.00000
     20     -18.2955      1.00000
     21     -18.2717      1.00000
     22     -18.1615      1.00000
     23     -18.0629      1.00000
     24     -18.0366      1.00000
     25     -17.9136      1.00000
     26     -17.8928      1.00000
     27     -14.6120      1.00000
     28     -14.6045      1.00000
     29     -14.1035      1.00000
     30     -14.0921      1.00000
     31     -12.8342      1.00000
     32     -12.8057      1.00000
     33      -8.9192      1.00000
     34      -8.9109      1.00000
     35      -6.0259      1.00000
     36      -6.0160      1.00000
     37      -5.5958      1.00000
     38      -5.5342      1.00000
     39      -4.6796      1.00000
     40      -4.6081      1.00000
     41      -4.0881      1.00000
     42      -4.0328      1.00000
     43      -3.5525      1.00000
     44      -3.4841      1.00000
     45      -3.2025      1.00000
     46      -3.1830      1.00000
     47      -2.8477      1.00000
     48      -2.8378      1.00000
     49      -2.5664      1.00000
     50      -2.5605      1.00000
     51      -1.3088      0.00000
     52      -1.2783      0.00000
     53      -0.4179      0.00000
     54      -0.4048      0.00000
     55       0.4598      0.00000
     56       0.4688      0.00000
     57       1.0597      0.00000
     58       1.1198      0.00000
     59       1.5878      0.00000
     60       1.6798      0.00000
     61       1.9033      0.00000
     62       1.9886      0.00000
     63       2.4156      0.00000
     64       2.4430      0.00000
     65       2.6095      0.00000
     66       2.6201      0.00000
     67       2.9834      0.00000
     68       3.0064      0.00000
     69       3.2760      0.00000
     70       3.3214      0.00000
     71       3.5870      0.00000
     72       3.6140      0.00000

 k-point    75 :      -0.3750    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3813      1.00000
      2     -36.3800      1.00000
      3     -36.2648      1.00000
      4     -36.2646      1.00000
      5     -23.9393      1.00000
      6     -23.9365      1.00000
      7     -23.9322      1.00000
      8     -23.9307      1.00000
      9     -22.9192      1.00000
     10     -22.9150      1.00000
     11     -22.9012      1.00000
     12     -22.9009      1.00000
     13     -22.8835      1.00000
     14     -22.8828      1.00000
     15     -19.3847      1.00000
     16     -19.3057      1.00000
     17     -19.1823      1.00000
     18     -19.1581      1.00000
     19     -18.3779      1.00000
     20     -18.2857      1.00000
     21     -18.2240      1.00000
     22     -18.1471      1.00000
     23     -18.0367      1.00000
     24     -18.0128      1.00000
     25     -17.8896      1.00000
     26     -17.8825      1.00000
     27     -14.7928      1.00000
     28     -14.7842      1.00000
     29     -14.1630      1.00000
     30     -14.1505      1.00000
     31     -12.8588      1.00000
     32     -12.8342      1.00000
     33      -8.7577      1.00000
     34      -8.7519      1.00000
     35      -5.9122      1.00000
     36      -5.9021      1.00000
     37      -5.2855      1.00000
     38      -5.2117      1.00000
     39      -4.4870      1.00000
     40      -4.3769      1.00000
     41      -3.9185      1.00000
     42      -3.8324      1.00000
     43      -3.4963      1.00000
     44      -3.4093      1.00000
     45      -3.2494      1.00000
     46      -3.2156      1.00000
     47      -2.8365      1.00000
     48      -2.8146      1.00000
     49      -2.5794      1.00000
     50      -2.5734      1.00000
     51      -1.3656      0.00026
     52      -1.3390      0.00001
     53      -0.7110      0.00000
     54      -0.7053      0.00000
     55       0.3992      0.00000
     56       0.4066      0.00000
     57       1.2831      0.00000
     58       1.3486      0.00000
     59       1.4334      0.00000
     60       1.4938      0.00000
     61       1.8406      0.00000
     62       1.8994      0.00000
     63       2.2368      0.00000
     64       2.2783      0.00000
     65       2.4899      0.00000
     66       2.5200      0.00000
     67       2.8761      0.00000
     68       2.9118      0.00000
     69       3.1681      0.00000
     70       3.2019      0.00000
     71       3.3521      0.00000
     72       3.3648      0.00000

 k-point    76 :      -0.3125    0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3872      1.00000
      2     -36.3859      1.00000
      3     -36.2673      1.00000
      4     -36.2671      1.00000
      5     -23.9389      1.00000
      6     -23.9371      1.00000
      7     -23.9321      1.00000
      8     -23.9311      1.00000
      9     -22.9181      1.00000
     10     -22.9143      1.00000
     11     -22.9009      1.00000
     12     -22.9005      1.00000
     13     -22.8850      1.00000
     14     -22.8843      1.00000
     15     -19.3784      1.00000
     16     -19.3044      1.00000
     17     -19.1486      1.00000
     18     -19.1316      1.00000
     19     -18.3714      1.00000
     20     -18.2833      1.00000
     21     -18.1677      1.00000
     22     -18.1255      1.00000
     23     -18.0159      1.00000
     24     -17.9855      1.00000
     25     -17.8757      1.00000
     26     -17.8701      1.00000
     27     -14.9533      1.00000
     28     -14.9442      1.00000
     29     -14.2288      1.00000
     30     -14.2154      1.00000
     31     -12.8844      1.00000
     32     -12.8627      1.00000
     33      -8.6155      1.00000
     34      -8.6122      1.00000
     35      -5.7457      1.00000
     36      -5.7401      1.00000
     37      -4.9660      1.00000
     38      -4.8900      1.00000
     39      -4.2882      1.00000
     40      -4.1716      1.00000
     41      -3.8897      1.00000
     42      -3.8001      1.00000
     43      -3.3661      1.00000
     44      -3.3379      1.00000
     45      -3.1450      1.00000
     46      -3.1351      1.00000
     47      -2.8454      1.00000
     48      -2.8141      1.00000
     49      -2.5823      1.00000
     50      -2.5790      1.00000
     51      -1.4337      0.06183
     52      -1.4173      0.02257
     53      -0.9690      0.00000
     54      -0.9576      0.00000
     55       0.4250      0.00000
     56       0.4314      0.00000
     57       1.0612      0.00000
     58       1.1000      0.00000
     59       1.5057      0.00000
     60       1.5236      0.00000
     61       1.9414      0.00000
     62       1.9823      0.00000
     63       2.1608      0.00000
     64       2.2300      0.00000
     65       2.3983      0.00000
     66       2.4579      0.00000
     67       2.8053      0.00000
     68       2.8432      0.00000
     69       3.0119      0.00000
     70       3.0389      0.00000
     71       3.0931      0.00000
     72       3.1137      0.00000

 k-point    77 :      -0.2500    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3922      1.00000
      2     -36.3909      1.00000
      3     -36.2695      1.00000
      4     -36.2692      1.00000
      5     -23.9385      1.00000
      6     -23.9374      1.00000
      7     -23.9323      1.00000
      8     -23.9313      1.00000
      9     -22.9169      1.00000
     10     -22.9132      1.00000
     11     -22.9008      1.00000
     12     -22.9003      1.00000
     13     -22.8866      1.00000
     14     -22.8860      1.00000
     15     -19.3733      1.00000
     16     -19.3044      1.00000
     17     -19.1173      1.00000
     18     -19.1069      1.00000
     19     -18.3648      1.00000
     20     -18.2818      1.00000
     21     -18.1244      1.00000
     22     -18.1007      1.00000
     23     -17.9966      1.00000
     24     -17.9612      1.00000
     25     -17.8705      1.00000
     26     -17.8620      1.00000
     27     -15.0779      1.00000
     28     -15.0686      1.00000
     29     -14.2869      1.00000
     30     -14.2729      1.00000
     31     -12.9070      1.00000
     32     -12.8865      1.00000
     33      -8.5092      1.00000
     34      -8.5081      1.00000
     35      -5.5202      1.00000
     36      -5.5120      1.00000
     37      -4.7164      1.00000
     38      -4.6451      1.00000
     39      -4.1045      1.00000
     40      -4.0335      1.00000
     41      -3.9043      1.00000
     42      -3.8584      1.00000
     43      -3.3826      1.00000
     44      -3.3712      1.00000
     45      -3.0080      1.00000
     46      -3.0024      1.00000
     47      -2.8640      1.00000
     48      -2.8335      1.00000
     49      -2.5821      1.00000
     50      -2.5800      1.00000
     51      -1.3684      0.00035
     52      -1.3627      0.00019
     53      -1.1540      0.00000
     54      -1.1361      0.00000
     55       0.5120      0.00000
     56       0.5132      0.00000
     57       0.9228      0.00000
     58       0.9594      0.00000
     59       1.4536      0.00000
     60       1.4644      0.00000
     61       2.0237      0.00000
     62       2.0418      0.00000
     63       2.2366      0.00000
     64       2.2527      0.00000
     65       2.3902      0.00000
     66       2.4278      0.00000
     67       2.6405      0.00000
     68       2.6539      0.00000
     69       2.8428      0.00000
     70       2.8521      0.00000
     71       2.8981      0.00000
     72       2.9180      0.00000

 k-point    78 :      -0.1875    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3955      1.00000
      2     -36.3942      1.00000
      3     -36.2709      1.00000
      4     -36.2707      1.00000
      5     -23.9385      1.00000
      6     -23.9371      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9162      1.00000
     10     -22.9122      1.00000
     11     -22.9007      1.00000
     12     -22.8999      1.00000
     13     -22.8880      1.00000
     14     -22.8874      1.00000
     15     -19.3698      1.00000
     16     -19.3051      1.00000
     17     -19.0952      1.00000
     18     -19.0892      1.00000
     19     -18.3586      1.00000
     20     -18.2811      1.00000
     21     -18.1040      1.00000
     22     -18.0780      1.00000
     23     -17.9789      1.00000
     24     -17.9411      1.00000
     25     -17.8724      1.00000
     26     -17.8605      1.00000
     27     -15.1564      1.00000
     28     -15.1472      1.00000
     29     -14.3263      1.00000
     30     -14.3120      1.00000
     31     -12.9228      1.00000
     32     -12.9020      1.00000
     33      -8.4463      1.00000
     34      -8.4452      1.00000
     35      -5.2431      1.00000
     36      -5.2203      1.00000
     37      -4.6896      1.00000
     38      -4.6071      1.00000
     39      -4.1495      1.00000
     40      -3.9824      1.00000
     41      -3.7668      1.00000
     42      -3.6830      1.00000
     43      -3.4131      1.00000
     44      -3.4048      1.00000
     45      -3.1151      1.00000
     46      -3.0759      1.00000
     47      -2.8623      1.00000
     48      -2.8232      1.00000
     49      -2.6157      1.00000
     50      -2.6122      1.00000
     51      -1.2886      0.00000
     52      -1.2616      0.00000
     53      -1.1391      0.00000
     54      -1.1145      0.00000
     55       0.6550      0.00000
     56       0.6751      0.00000
     57       1.0420      0.00000
     58       1.0528      0.00000
     59       1.3966      0.00000
     60       1.4083      0.00000
     61       1.8379      0.00000
     62       1.9027      0.00000
     63       1.9611      0.00000
     64       1.9906      0.00000
     65       2.3798      0.00000
     66       2.4532      0.00000
     67       2.4953      0.00000
     68       2.5280      0.00000
     69       2.7725      0.00000
     70       2.8114      0.00000
     71       2.8633      0.00000
     72       2.9077      0.00000

 k-point    79 :      -0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3967      1.00000
      2     -36.3954      1.00000
      3     -36.2715      1.00000
      4     -36.2712      1.00000
      5     -23.9386      1.00000
      6     -23.9368      1.00000
      7     -23.9329      1.00000
      8     -23.9314      1.00000
      9     -22.9159      1.00000
     10     -22.9118      1.00000
     11     -22.9007      1.00000
     12     -22.8996      1.00000
     13     -22.8886      1.00000
     14     -22.8879      1.00000
     15     -19.3685      1.00000
     16     -19.3055      1.00000
     17     -19.0874      1.00000
     18     -19.0826      1.00000
     19     -18.3559      1.00000
     20     -18.2809      1.00000
     21     -18.0991      1.00000
     22     -18.0690      1.00000
     23     -17.9708      1.00000
     24     -17.9317      1.00000
     25     -17.8757      1.00000
     26     -17.8610      1.00000
     27     -15.1831      1.00000
     28     -15.1740      1.00000
     29     -14.3402      1.00000
     30     -14.3259      1.00000
     31     -12.9283      1.00000
     32     -12.9075      1.00000
     33      -8.4260      1.00000
     34      -8.4243      1.00000
     35      -5.0132      1.00000
     36      -4.9750      1.00000
     37      -4.8308      1.00000
     38      -4.7809      1.00000
     39      -4.1474      1.00000
     40      -4.0164      1.00000
     41      -3.5193      1.00000
     42      -3.5093      1.00000
     43      -3.4002      1.00000
     44      -3.3919      1.00000
     45      -3.3229      1.00000
     46      -3.2568      1.00000
     47      -2.8555      1.00000
     48      -2.8158      1.00000
     49      -2.6389      1.00000
     50      -2.6337      1.00000
     51      -1.3168      0.00000
     52      -1.2850      0.00000
     53      -1.0284      0.00000
     54      -0.9902      0.00000
     55       0.7894      0.00000
     56       0.8268      0.00000
     57       1.1340      0.00000
     58       1.1652      0.00000
     59       1.4020      0.00000
     60       1.4418      0.00000
     61       1.6214      0.00000
     62       1.6331      0.00000
     63       1.7907      0.00000
     64       1.8314      0.00000
     65       2.3502      0.00000
     66       2.3665      0.00000
     67       2.4982      0.00000
     68       2.5283      0.00000
     69       2.7765      0.00000
     70       2.7958      0.00000
     71       2.8314      0.00000
     72       2.8736      0.00000

 k-point    80 :      -0.0625    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -36.3955      1.00000
      2     -36.3942      1.00000
      3     -36.2709      1.00000
      4     -36.2707      1.00000
      5     -23.9385      1.00000
      6     -23.9371      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9162      1.00000
     10     -22.9122      1.00000
     11     -22.9007      1.00000
     12     -22.8999      1.00000
     13     -22.8880      1.00000
     14     -22.8874      1.00000
     15     -19.3696      1.00000
     16     -19.3053      1.00000
     17     -19.0953      1.00000
     18     -19.0891      1.00000
     19     -18.3588      1.00000
     20     -18.2810      1.00000
     21     -18.1040      1.00000
     22     -18.0780      1.00000
     23     -17.9789      1.00000
     24     -17.9411      1.00000
     25     -17.8723      1.00000
     26     -17.8606      1.00000
     27     -15.1564      1.00000
     28     -15.1472      1.00000
     29     -14.3263      1.00000
     30     -14.3120      1.00000
     31     -12.9224      1.00000
     32     -12.9024      1.00000
     33      -8.4463      1.00000
     34      -8.4452      1.00000
     35      -5.2431      1.00000
     36      -5.2203      1.00000
     37      -4.6896      1.00000
     38      -4.6071      1.00000
     39      -4.1495      1.00000
     40      -3.9823      1.00000
     41      -3.7667      1.00000
     42      -3.6833      1.00000
     43      -3.4125      1.00000
     44      -3.4052      1.00000
     45      -3.1154      1.00000
     46      -3.0758      1.00000
     47      -2.8620      1.00000
     48      -2.8233      1.00000
     49      -2.6161      1.00000
     50      -2.6118      1.00000
     51      -1.2916      0.00000
     52      -1.2592      0.00000
     53      -1.1382      0.00000
     54      -1.1146      0.00000
     55       0.6551      0.00000
     56       0.6750      0.00000
     57       1.0415      0.00000
     58       1.0537      0.00000
     59       1.3847      0.00000
     60       1.4206      0.00000
     61       1.8359      0.00000
     62       1.9025      0.00000
     63       1.9641      0.00000
     64       1.9889      0.00000
     65       2.3824      0.00000
     66       2.4506      0.00000
     67       2.4931      0.00000
     68       2.5307      0.00000
     69       2.7709      0.00000
     70       2.8128      0.00000
     71       2.8630      0.00000
     72       2.9078      0.00000

 k-point    81 :      -0.0000    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3839      1.00000
      2     -36.3826      1.00000
      3     -36.2659      1.00000
      4     -36.2657      1.00000
      5     -23.9390      1.00000
      6     -23.9377      1.00000
      7     -23.9314      1.00000
      8     -23.9309      1.00000
      9     -22.9192      1.00000
     10     -22.9160      1.00000
     11     -22.9008      1.00000
     12     -22.9006      1.00000
     13     -22.8834      1.00000
     14     -22.8827      1.00000
     15     -19.3815      1.00000
     16     -19.3085      1.00000
     17     -19.1718      1.00000
     18     -19.1504      1.00000
     19     -18.3757      1.00000
     20     -18.2868      1.00000
     21     -18.1823      1.00000
     22     -18.1476      1.00000
     23     -18.0301      1.00000
     24     -18.0023      1.00000
     25     -17.8748      1.00000
     26     -17.8703      1.00000
     27     -14.8621      1.00000
     28     -14.8534      1.00000
     29     -14.1934      1.00000
     30     -14.1812      1.00000
     31     -12.8687      1.00000
     32     -12.8511      1.00000
     33      -8.7155      1.00000
     34      -8.7118      1.00000
     35      -5.9804      1.00000
     36      -5.9767      1.00000
     37      -4.9844      1.00000
     38      -4.9282      1.00000
     39      -4.2806      1.00000
     40      -4.2627      1.00000
     41      -3.9030      1.00000
     42      -3.8421      1.00000
     43      -3.3365      1.00000
     44      -3.3208      1.00000
     45      -3.0706      1.00000
     46      -3.0695      1.00000
     47      -2.8068      1.00000
     48      -2.7799      1.00000
     49      -2.5501      1.00000
     50      -2.5474      1.00000
     51      -1.6982      1.00000
     52      -1.6932      1.00000
     53      -0.8655      0.00000
     54      -0.8175      0.00000
     55       0.2915      0.00000
     56       0.2977      0.00000
     57       0.9017      0.00000
     58       0.9489      0.00000
     59       1.4878      0.00000
     60       1.5166      0.00000
     61       2.1864      0.00000
     62       2.2027      0.00000
     63       2.3011      0.00000
     64       2.3352      0.00000
     65       2.4109      0.00000
     66       2.4407      0.00000
     67       2.8439      0.00000
     68       2.8524      0.00000
     69       3.1621      0.00000
     70       3.1715      0.00000
     71       3.2033      0.00000
     72       3.2135      0.00000

 k-point    82 :       0.0625    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3795      1.00000
      2     -36.3782      1.00000
      3     -36.2640      1.00000
      4     -36.2638      1.00000
      5     -23.9394      1.00000
      6     -23.9376      1.00000
      7     -23.9313      1.00000
      8     -23.9305      1.00000
      9     -22.9203      1.00000
     10     -22.9171      1.00000
     11     -22.9009      1.00000
     12     -22.9006      1.00000
     13     -22.8820      1.00000
     14     -22.8813      1.00000
     15     -19.3858      1.00000
     16     -19.3135      1.00000
     17     -19.1971      1.00000
     18     -19.1716      1.00000
     19     -18.3789      1.00000
     20     -18.2932      1.00000
     21     -18.2171      1.00000
     22     -18.1637      1.00000
     23     -18.0455      1.00000
     24     -18.0208      1.00000
     25     -17.8824      1.00000
     26     -17.8778      1.00000
     27     -14.7349      1.00000
     28     -14.7270      1.00000
     29     -14.1488      1.00000
     30     -14.1378      1.00000
     31     -12.8501      1.00000
     32     -12.8320      1.00000
     33      -8.8432      1.00000
     34      -8.8381      1.00000
     35      -6.1487      1.00000
     36      -6.1424      1.00000
     37      -5.1229      1.00000
     38      -5.0497      1.00000
     39      -4.5058      1.00000
     40      -4.4116      1.00000
     41      -3.8866      1.00000
     42      -3.8233      1.00000
     43      -3.3835      1.00000
     44      -3.3201      1.00000
     45      -3.1986      1.00000
     46      -3.1460      1.00000
     47      -2.7624      1.00000
     48      -2.7428      1.00000
     49      -2.5517      1.00000
     50      -2.5483      1.00000
     51      -1.7285      1.00000
     52      -1.7123      1.00000
     53      -0.6690      0.00000
     54      -0.6128      0.00000
     55       0.2326      0.00000
     56       0.2389      0.00000
     57       1.0427      0.00000
     58       1.0885      0.00000
     59       1.3992      0.00000
     60       1.4393      0.00000
     61       2.0977      0.00000
     62       2.1273      0.00000
     63       2.2924      0.00000
     64       2.3222      0.00000
     65       2.5557      0.00000
     66       2.5803      0.00000
     67       2.8858      0.00000
     68       2.8958      0.00000
     69       3.2417      0.00000
     70       3.2742      0.00000
     71       3.4371      0.00000
     72       3.4487      0.00000

 k-point    83 :       0.1250    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3747      1.00000
      2     -36.3734      1.00000
      3     -36.2621      1.00000
      4     -36.2619      1.00000
      5     -23.9395      1.00000
      6     -23.9371      1.00000
      7     -23.9317      1.00000
      8     -23.9300      1.00000
      9     -22.9206      1.00000
     10     -22.9172      1.00000
     11     -22.9016      1.00000
     12     -22.9007      1.00000
     13     -22.8811      1.00000
     14     -22.8804      1.00000
     15     -19.3909      1.00000
     16     -19.3183      1.00000
     17     -19.2181      1.00000
     18     -19.1905      1.00000
     19     -18.3849      1.00000
     20     -18.3050      1.00000
     21     -18.2573      1.00000
     22     -18.1706      1.00000
     23     -18.0672      1.00000
     24     -18.0376      1.00000
     25     -17.9026      1.00000
     26     -17.8880      1.00000
     27     -14.5842      1.00000
     28     -14.5773      1.00000
     29     -14.1045      1.00000
     30     -14.0945      1.00000
     31     -12.8310      1.00000
     32     -12.8082      1.00000
     33      -8.9769      1.00000
     34      -8.9697      1.00000
     35      -6.2421      1.00000
     36      -6.2346      1.00000
     37      -5.3446      1.00000
     38      -5.2474      1.00000
     39      -4.7750      1.00000
     40      -4.6444      1.00000
     41      -3.9440      1.00000
     42      -3.8694      1.00000
     43      -3.5219      1.00000
     44      -3.4380      1.00000
     45      -3.2549      1.00000
     46      -3.2054      1.00000
     47      -2.7492      1.00000
     48      -2.7389      1.00000
     49      -2.5563      1.00000
     50      -2.5511      1.00000
     51      -1.5882      0.99766
     52      -1.5611      0.98053
     53      -0.4126      0.00000
     54      -0.3488      0.00000
     55       0.2757      0.00000
     56       0.2788      0.00000
     57       1.1987      0.00000
     58       1.2359      0.00000
     59       1.4437      0.00000
     60       1.4888      0.00000
     61       1.8806      0.00000
     62       1.9322      0.00000
     63       2.3141      0.00000
     64       2.3682      0.00000
     65       2.6990      0.00000
     66       2.7235      0.00000
     67       3.0615      0.00000
     68       3.0702      0.00000
     69       3.2435      0.00000
     70       3.2723      0.00000
     71       3.6760      0.00000
     72       3.6908      0.00000

 k-point    84 :       0.1875    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2601      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9325      1.00000
      8     -23.9297      1.00000
      9     -22.9198      1.00000
     10     -22.9165      1.00000
     11     -22.9032      1.00000
     12     -22.9011      1.00000
     13     -22.8808      1.00000
     14     -22.8800      1.00000
     15     -19.3967      1.00000
     16     -19.3214      1.00000
     17     -19.2308      1.00000
     18     -19.2045      1.00000
     19     -18.3983      1.00000
     20     -18.3360      1.00000
     21     -18.2702      1.00000
     22     -18.1732      1.00000
     23     -18.0939      1.00000
     24     -18.0487      1.00000
     25     -17.9319      1.00000
     26     -17.8987      1.00000
     27     -14.4268      1.00000
     28     -14.4215      1.00000
     29     -14.0718      1.00000
     30     -14.0623      1.00000
     31     -12.8136      1.00000
     32     -12.7848      1.00000
     33      -9.0969      1.00000
     34      -9.0872      1.00000
     35      -6.2544      1.00000
     36      -6.2457      1.00000
     37      -5.6400      1.00000
     38      -5.5622      1.00000
     39      -4.9822      1.00000
     40      -4.8893      1.00000
     41      -4.0626      1.00000
     42      -3.9971      1.00000
     43      -3.5970      1.00000
     44      -3.5408      1.00000
     45      -3.2062      1.00000
     46      -3.1867      1.00000
     47      -2.7729      1.00000
     48      -2.7708      1.00000
     49      -2.5569      1.00000
     50      -2.5506      1.00000
     51      -1.4500      0.14039
     52      -1.4206      0.02804
     53      -0.1478      0.00000
     54      -0.0810      0.00000
     55       0.4325      0.00000
     56       0.4394      0.00000
     57       1.0553      0.00000
     58       1.0956      0.00000
     59       1.5551      0.00000
     60       1.6060      0.00000
     61       1.9062      0.00000
     62       1.9535      0.00000
     63       2.4334      0.00000
     64       2.4864      0.00000
     65       2.7485      0.00000
     66       2.8021      0.00000
     67       3.1743      0.00000
     68       3.2043      0.00000
     69       3.3952      0.00000
     70       3.4249      0.00000
     71       3.7766      0.00000
     72       3.8101      0.00000

 k-point    85 :       0.2500    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3669      1.00000
      2     -36.3655      1.00000
      3     -36.2589      1.00000
      4     -36.2587      1.00000
      5     -23.9384      1.00000
      6     -23.9361      1.00000
      7     -23.9334      1.00000
      8     -23.9296      1.00000
      9     -22.9180      1.00000
     10     -22.9152      1.00000
     11     -22.9056      1.00000
     12     -22.9019      1.00000
     13     -22.8807      1.00000
     14     -22.8800      1.00000
     15     -19.4022      1.00000
     16     -19.3226      1.00000
     17     -19.2351      1.00000
     18     -19.2133      1.00000
     19     -18.4156      1.00000
     20     -18.3731      1.00000
     21     -18.2583      1.00000
     22     -18.1792      1.00000
     23     -18.1195      1.00000
     24     -18.0472      1.00000
     25     -17.9656      1.00000
     26     -17.9074      1.00000
     27     -14.2833      1.00000
     28     -14.2801      1.00000
     29     -14.0624      1.00000
     30     -14.0525      1.00000
     31     -12.8003      1.00000
     32     -12.7665      1.00000
     33      -9.1878      1.00000
     34      -9.1756      1.00000
     35      -6.1981      1.00000
     36      -6.1875      1.00000
     37      -5.8801      1.00000
     38      -5.8264      1.00000
     39      -5.2541      1.00000
     40      -5.2108      1.00000
     41      -4.0685      1.00000
     42      -4.0137      1.00000
     43      -3.6579      1.00000
     44      -3.6198      1.00000
     45      -3.1156      1.00000
     46      -3.1050      1.00000
     47      -2.8227      1.00000
     48      -2.8199      1.00000
     49      -2.5700      1.00000
     50      -2.5626      1.00000
     51      -1.3870      0.00211
     52      -1.3644      0.00023
     53       0.0606      0.00000
     54       0.1216      0.00000
     55       0.6527      0.00000
     56       0.6649      0.00000
     57       1.0051      0.00000
     58       1.0306      0.00000
     59       1.4544      0.00000
     60       1.4821      0.00000
     61       1.9730      0.00000
     62       2.0005      0.00000
     63       2.6078      0.00000
     64       2.6297      0.00000
     65       2.8497      0.00000
     66       2.9100      0.00000
     67       3.0228      0.00000
     68       3.0663      0.00000
     69       3.5153      0.00000
     70       3.5865      0.00000
     71       4.0408      0.00000
     72       4.0752      0.00000

 k-point    86 :       0.3125    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3650      1.00000
      2     -36.3637      1.00000
      3     -36.2581      1.00000
      4     -36.2579      1.00000
      5     -23.9374      1.00000
      6     -23.9363      1.00000
      7     -23.9341      1.00000
      8     -23.9295      1.00000
      9     -22.9162      1.00000
     10     -22.9138      1.00000
     11     -22.9081      1.00000
     12     -22.9026      1.00000
     13     -22.8806      1.00000
     14     -22.8802      1.00000
     15     -19.4056      1.00000
     16     -19.3229      1.00000
     17     -19.2345      1.00000
     18     -19.2181      1.00000
     19     -18.4277      1.00000
     20     -18.3954      1.00000
     21     -18.2413      1.00000
     22     -18.1906      1.00000
     23     -18.1354      1.00000
     24     -18.0312      1.00000
     25     -17.9979      1.00000
     26     -17.9122      1.00000
     27     -14.1785      1.00000
     28     -14.1749      1.00000
     29     -14.0839      1.00000
     30     -14.0703      1.00000
     31     -12.7932      1.00000
     32     -12.7566      1.00000
     33      -9.2370      1.00000
     34      -9.2233      1.00000
     35      -6.1799      1.00000
     36      -6.1663      1.00000
     37      -5.8778      1.00000
     38      -5.8536      1.00000
     39      -5.5499      1.00000
     40      -5.5267      1.00000
     41      -3.9991      1.00000
     42      -3.9392      1.00000
     43      -3.7300      1.00000
     44      -3.6967      1.00000
     45      -3.0289      1.00000
     46      -3.0103      1.00000
     47      -2.8809      1.00000
     48      -2.8718      1.00000
     49      -2.5871      1.00000
     50      -2.5803      1.00000
     51      -1.3734      0.00059
     52      -1.3632      0.00020
     53       0.1726      0.00000
     54       0.2298      0.00000
     55       0.7464      0.00000
     56       0.7638      0.00000
     57       1.0716      0.00000
     58       1.1063      0.00000
     59       1.4364      0.00000
     60       1.5200      0.00000
     61       1.8935      0.00000
     62       1.9537      0.00000
     63       2.5780      0.00000
     64       2.5976      0.00000
     65       2.7170      0.00000
     66       2.7530      0.00000
     67       3.1881      0.00000
     68       3.2660      0.00000
     69       3.5232      0.00000
     70       3.5832      0.00000
     71       4.3878      0.00000
     72       4.4162      0.00000

 k-point    87 :       0.3750    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3650      1.00000
      2     -36.3637      1.00000
      3     -36.2581      1.00000
      4     -36.2579      1.00000
      5     -23.9374      1.00000
      6     -23.9363      1.00000
      7     -23.9341      1.00000
      8     -23.9295      1.00000
      9     -22.9162      1.00000
     10     -22.9138      1.00000
     11     -22.9081      1.00000
     12     -22.9026      1.00000
     13     -22.8806      1.00000
     14     -22.8802      1.00000
     15     -19.4057      1.00000
     16     -19.3228      1.00000
     17     -19.2345      1.00000
     18     -19.2181      1.00000
     19     -18.4277      1.00000
     20     -18.3954      1.00000
     21     -18.2412      1.00000
     22     -18.1908      1.00000
     23     -18.1355      1.00000
     24     -18.0312      1.00000
     25     -17.9979      1.00000
     26     -17.9122      1.00000
     27     -14.1785      1.00000
     28     -14.1749      1.00000
     29     -14.0839      1.00000
     30     -14.0703      1.00000
     31     -12.7933      1.00000
     32     -12.7565      1.00000
     33      -9.2370      1.00000
     34      -9.2233      1.00000
     35      -6.1799      1.00000
     36      -6.1663      1.00000
     37      -5.8778      1.00000
     38      -5.8536      1.00000
     39      -5.5499      1.00000
     40      -5.5267      1.00000
     41      -3.9991      1.00000
     42      -3.9392      1.00000
     43      -3.7299      1.00000
     44      -3.6967      1.00000
     45      -3.0291      1.00000
     46      -3.0100      1.00000
     47      -2.8807      1.00000
     48      -2.8720      1.00000
     49      -2.5864      1.00000
     50      -2.5809      1.00000
     51      -1.3734      0.00059
     52      -1.3632      0.00020
     53       0.1760      0.00000
     54       0.2266      0.00000
     55       0.7454      0.00000
     56       0.7649      0.00000
     57       1.0722      0.00000
     58       1.1057      0.00000
     59       1.4353      0.00000
     60       1.5207      0.00000
     61       1.8944      0.00000
     62       1.9526      0.00000
     63       2.5732      0.00000
     64       2.6028      0.00000
     65       2.7174      0.00000
     66       2.7526      0.00000
     67       3.1872      0.00000
     68       3.2668      0.00000
     69       3.5263      0.00000
     70       3.5801      0.00000
     71       4.3928      0.00000
     72       4.4119      0.00000

 k-point    88 :       0.4375    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3669      1.00000
      2     -36.3655      1.00000
      3     -36.2589      1.00000
      4     -36.2587      1.00000
      5     -23.9384      1.00000
      6     -23.9361      1.00000
      7     -23.9334      1.00000
      8     -23.9296      1.00000
      9     -22.9180      1.00000
     10     -22.9152      1.00000
     11     -22.9056      1.00000
     12     -22.9019      1.00000
     13     -22.8806      1.00000
     14     -22.8800      1.00000
     15     -19.4025      1.00000
     16     -19.3224      1.00000
     17     -19.2350      1.00000
     18     -19.2134      1.00000
     19     -18.4156      1.00000
     20     -18.3731      1.00000
     21     -18.2581      1.00000
     22     -18.1794      1.00000
     23     -18.1196      1.00000
     24     -18.0472      1.00000
     25     -17.9656      1.00000
     26     -17.9073      1.00000
     27     -14.2832      1.00000
     28     -14.2802      1.00000
     29     -14.0624      1.00000
     30     -14.0525      1.00000
     31     -12.8005      1.00000
     32     -12.7662      1.00000
     33      -9.1878      1.00000
     34      -9.1756      1.00000
     35      -6.1981      1.00000
     36      -6.1875      1.00000
     37      -5.8802      1.00000
     38      -5.8264      1.00000
     39      -5.2541      1.00000
     40      -5.2108      1.00000
     41      -4.0685      1.00000
     42      -4.0137      1.00000
     43      -3.6578      1.00000
     44      -3.6199      1.00000
     45      -3.1160      1.00000
     46      -3.1045      1.00000
     47      -2.8230      1.00000
     48      -2.8197      1.00000
     49      -2.5687      1.00000
     50      -2.5639      1.00000
     51      -1.3870      0.00211
     52      -1.3644      0.00023
     53       0.0733      0.00000
     54       0.1091      0.00000
     55       0.6489      0.00000
     56       0.6685      0.00000
     57       1.0085      0.00000
     58       1.0270      0.00000
     59       1.4520      0.00000
     60       1.4843      0.00000
     61       1.9792      0.00000
     62       1.9939      0.00000
     63       2.6043      0.00000
     64       2.6336      0.00000
     65       2.8460      0.00000
     66       2.9158      0.00000
     67       3.0194      0.00000
     68       3.0679      0.00000
     69       3.5193      0.00000
     70       3.5821      0.00000
     71       4.0532      0.00000
     72       4.0633      0.00000

 k-point    89 :       0.5000    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2601      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9325      1.00000
      8     -23.9297      1.00000
      9     -22.9198      1.00000
     10     -22.9165      1.00000
     11     -22.9032      1.00000
     12     -22.9011      1.00000
     13     -22.8807      1.00000
     14     -22.8800      1.00000
     15     -19.3971      1.00000
     16     -19.3210      1.00000
     17     -19.2307      1.00000
     18     -19.2045      1.00000
     19     -18.3981      1.00000
     20     -18.3361      1.00000
     21     -18.2702      1.00000
     22     -18.1734      1.00000
     23     -18.0939      1.00000
     24     -18.0487      1.00000
     25     -17.9319      1.00000
     26     -17.8986      1.00000
     27     -14.4268      1.00000
     28     -14.4216      1.00000
     29     -14.0718      1.00000
     30     -14.0623      1.00000
     31     -12.8140      1.00000
     32     -12.7844      1.00000
     33      -9.0970      1.00000
     34      -9.0872      1.00000
     35      -6.2544      1.00000
     36      -6.2457      1.00000
     37      -5.6400      1.00000
     38      -5.5622      1.00000
     39      -4.9822      1.00000
     40      -4.8893      1.00000
     41      -4.0625      1.00000
     42      -3.9972      1.00000
     43      -3.5970      1.00000
     44      -3.5408      1.00000
     45      -3.2057      1.00000
     46      -3.1871      1.00000
     47      -2.7739      1.00000
     48      -2.7699      1.00000
     49      -2.5556      1.00000
     50      -2.5519      1.00000
     51      -1.4500      0.14053
     52      -1.4206      0.02800
     53      -0.1260      0.00000
     54      -0.1029      0.00000
     55       0.4301      0.00000
     56       0.4418      0.00000
     57       1.0565      0.00000
     58       1.0942      0.00000
     59       1.5551      0.00000
     60       1.6058      0.00000
     61       1.9075      0.00000
     62       1.9526      0.00000
     63       2.4293      0.00000
     64       2.4913      0.00000
     65       2.7400      0.00000
     66       2.8101      0.00000
     67       3.1834      0.00000
     68       3.1952      0.00000
     69       3.3945      0.00000
     70       3.4254      0.00000
     71       3.7795      0.00000
     72       3.8069      0.00000

 k-point    90 :      -0.4375    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3747      1.00000
      2     -36.3734      1.00000
      3     -36.2621      1.00000
      4     -36.2619      1.00000
      5     -23.9396      1.00000
      6     -23.9371      1.00000
      7     -23.9317      1.00000
      8     -23.9300      1.00000
      9     -22.9206      1.00000
     10     -22.9172      1.00000
     11     -22.9016      1.00000
     12     -22.9007      1.00000
     13     -22.8811      1.00000
     14     -22.8804      1.00000
     15     -19.3914      1.00000
     16     -19.3179      1.00000
     17     -19.2180      1.00000
     18     -19.1906      1.00000
     19     -18.3845      1.00000
     20     -18.3053      1.00000
     21     -18.2572      1.00000
     22     -18.1707      1.00000
     23     -18.0672      1.00000
     24     -18.0377      1.00000
     25     -17.9026      1.00000
     26     -17.8879      1.00000
     27     -14.5841      1.00000
     28     -14.5773      1.00000
     29     -14.1045      1.00000
     30     -14.0945      1.00000
     31     -12.8317      1.00000
     32     -12.8076      1.00000
     33      -8.9769      1.00000
     34      -8.9696      1.00000
     35      -6.2420      1.00000
     36      -6.2346      1.00000
     37      -5.3446      1.00000
     38      -5.2474      1.00000
     39      -4.7749      1.00000
     40      -4.6444      1.00000
     41      -3.9439      1.00000
     42      -3.8695      1.00000
     43      -3.5222      1.00000
     44      -3.4379      1.00000
     45      -3.2540      1.00000
     46      -3.2062      1.00000
     47      -2.7490      1.00000
     48      -2.7390      1.00000
     49      -2.5555      1.00000
     50      -2.5519      1.00000
     51      -1.5882      0.99766
     52      -1.5611      0.98053
     53      -0.3868      0.00000
     54      -0.3749      0.00000
     55       0.2757      0.00000
     56       0.2789      0.00000
     57       1.2016      0.00000
     58       1.2320      0.00000
     59       1.4449      0.00000
     60       1.4882      0.00000
     61       1.8789      0.00000
     62       1.9350      0.00000
     63       2.3088      0.00000
     64       2.3733      0.00000
     65       2.6896      0.00000
     66       2.7330      0.00000
     67       3.0584      0.00000
     68       3.0715      0.00000
     69       3.2473      0.00000
     70       3.2693      0.00000
     71       3.6786      0.00000
     72       3.6882      0.00000

 k-point    91 :      -0.3750    0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3795      1.00000
      2     -36.3782      1.00000
      3     -36.2641      1.00000
      4     -36.2638      1.00000
      5     -23.9394      1.00000
      6     -23.9376      1.00000
      7     -23.9313      1.00000
      8     -23.9305      1.00000
      9     -22.9202      1.00000
     10     -22.9171      1.00000
     11     -22.9009      1.00000
     12     -22.9006      1.00000
     13     -22.8820      1.00000
     14     -22.8813      1.00000
     15     -19.3862      1.00000
     16     -19.3131      1.00000
     17     -19.1970      1.00000
     18     -19.1717      1.00000
     19     -18.3785      1.00000
     20     -18.2936      1.00000
     21     -18.2170      1.00000
     22     -18.1637      1.00000
     23     -18.0455      1.00000
     24     -18.0210      1.00000
     25     -17.8825      1.00000
     26     -17.8777      1.00000
     27     -14.7349      1.00000
     28     -14.7270      1.00000
     29     -14.1488      1.00000
     30     -14.1379      1.00000
     31     -12.8509      1.00000
     32     -12.8312      1.00000
     33      -8.8432      1.00000
     34      -8.8380      1.00000
     35      -6.1486      1.00000
     36      -6.1424      1.00000
     37      -5.1229      1.00000
     38      -5.0497      1.00000
     39      -4.5058      1.00000
     40      -4.4117      1.00000
     41      -3.8866      1.00000
     42      -3.8233      1.00000
     43      -3.3846      1.00000
     44      -3.3187      1.00000
     45      -3.1985      1.00000
     46      -3.1465      1.00000
     47      -2.7617      1.00000
     48      -2.7434      1.00000
     49      -2.5514      1.00000
     50      -2.5487      1.00000
     51      -1.7285      1.00000
     52      -1.7123      1.00000
     53      -0.6455      0.00000
     54      -0.6365      0.00000
     55       0.2334      0.00000
     56       0.2381      0.00000
     57       1.0430      0.00000
     58       1.0883      0.00000
     59       1.3956      0.00000
     60       1.4426      0.00000
     61       2.0983      0.00000
     62       2.1278      0.00000
     63       2.2865      0.00000
     64       2.3284      0.00000
     65       2.5505      0.00000
     66       2.5846      0.00000
     67       2.8836      0.00000
     68       2.8969      0.00000
     69       3.2444      0.00000
     70       3.2723      0.00000
     71       3.4396      0.00000
     72       3.4461      0.00000

 k-point    92 :      -0.3125    0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3839      1.00000
      2     -36.3826      1.00000
      3     -36.2659      1.00000
      4     -36.2657      1.00000
      5     -23.9391      1.00000
      6     -23.9377      1.00000
      7     -23.9314      1.00000
      8     -23.9309      1.00000
      9     -22.9192      1.00000
     10     -22.9160      1.00000
     11     -22.9008      1.00000
     12     -22.9006      1.00000
     13     -22.8834      1.00000
     14     -22.8827      1.00000
     15     -19.3818      1.00000
     16     -19.3082      1.00000
     17     -19.1717      1.00000
     18     -19.1504      1.00000
     19     -18.3752      1.00000
     20     -18.2872      1.00000
     21     -18.1823      1.00000
     22     -18.1476      1.00000
     23     -18.0301      1.00000
     24     -18.0023      1.00000
     25     -17.8748      1.00000
     26     -17.8703      1.00000
     27     -14.8621      1.00000
     28     -14.8534      1.00000
     29     -14.1934      1.00000
     30     -14.1812      1.00000
     31     -12.8694      1.00000
     32     -12.8504      1.00000
     33      -8.7155      1.00000
     34      -8.7118      1.00000
     35      -5.9804      1.00000
     36      -5.9767      1.00000
     37      -4.9844      1.00000
     38      -4.9282      1.00000
     39      -4.2806      1.00000
     40      -4.2627      1.00000
     41      -3.9031      1.00000
     42      -3.8420      1.00000
     43      -3.3375      1.00000
     44      -3.3198      1.00000
     45      -3.0706      1.00000
     46      -3.0695      1.00000
     47      -2.8060      1.00000
     48      -2.7807      1.00000
     49      -2.5495      1.00000
     50      -2.5479      1.00000
     51      -1.6982      1.00000
     52      -1.6932      1.00000
     53      -0.8496      0.00000
     54      -0.8335      0.00000
     55       0.2920      0.00000
     56       0.2971      0.00000
     57       0.9018      0.00000
     58       0.9488      0.00000
     59       1.4836      0.00000
     60       1.5209      0.00000
     61       2.1840      0.00000
     62       2.2049      0.00000
     63       2.3052      0.00000
     64       2.3314      0.00000
     65       2.4100      0.00000
     66       2.4416      0.00000
     67       2.8458      0.00000
     68       2.8504      0.00000
     69       3.1639      0.00000
     70       3.1696      0.00000
     71       3.2027      0.00000
     72       3.2144      0.00000

 k-point    93 :      -0.2500    0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3872      1.00000
      2     -36.3859      1.00000
      3     -36.2673      1.00000
      4     -36.2671      1.00000
      5     -23.9389      1.00000
      6     -23.9371      1.00000
      7     -23.9321      1.00000
      8     -23.9311      1.00000
      9     -22.9181      1.00000
     10     -22.9142      1.00000
     11     -22.9009      1.00000
     12     -22.9005      1.00000
     13     -22.8850      1.00000
     14     -22.8843      1.00000
     15     -19.3784      1.00000
     16     -19.3044      1.00000
     17     -19.1486      1.00000
     18     -19.1316      1.00000
     19     -18.3715      1.00000
     20     -18.2833      1.00000
     21     -18.1677      1.00000
     22     -18.1255      1.00000
     23     -18.0159      1.00000
     24     -17.9855      1.00000
     25     -17.8757      1.00000
     26     -17.8701      1.00000
     27     -14.9533      1.00000
     28     -14.9442      1.00000
     29     -14.2288      1.00000
     30     -14.2155      1.00000
     31     -12.8841      1.00000
     32     -12.8630      1.00000
     33      -8.6154      1.00000
     34      -8.6123      1.00000
     35      -5.7457      1.00000
     36      -5.7401      1.00000
     37      -4.9660      1.00000
     38      -4.8900      1.00000
     39      -4.2882      1.00000
     40      -4.1715      1.00000
     41      -3.8898      1.00000
     42      -3.8000      1.00000
     43      -3.3649      1.00000
     44      -3.3393      1.00000
     45      -3.1448      1.00000
     46      -3.1351      1.00000
     47      -2.8457      1.00000
     48      -2.8138      1.00000
     49      -2.5823      1.00000
     50      -2.5790      1.00000
     51      -1.4338      0.06214
     52      -1.4172      0.02244
     53      -0.9751      0.00000
     54      -0.9515      0.00000
     55       0.4247      0.00000
     56       0.4316      0.00000
     57       1.0612      0.00000
     58       1.0999      0.00000
     59       1.5041      0.00000
     60       1.5254      0.00000
     61       1.9420      0.00000
     62       1.9807      0.00000
     63       2.1644      0.00000
     64       2.2272      0.00000
     65       2.3965      0.00000
     66       2.4598      0.00000
     67       2.8079      0.00000
     68       2.8404      0.00000
     69       3.0111      0.00000
     70       3.0398      0.00000
     71       3.0949      0.00000
     72       3.1119      0.00000

 k-point    94 :      -0.1875    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3890      1.00000
      2     -36.3877      1.00000
      3     -36.2681      1.00000
      4     -36.2679      1.00000
      5     -23.9389      1.00000
      6     -23.9363      1.00000
      7     -23.9328      1.00000
      8     -23.9312      1.00000
      9     -22.9175      1.00000
     10     -22.9129      1.00000
     11     -22.9011      1.00000
     12     -22.9004      1.00000
     13     -22.8862      1.00000
     14     -22.8855      1.00000
     15     -19.3763      1.00000
     16     -19.3025      1.00000
     17     -19.1348      1.00000
     18     -19.1204      1.00000
     19     -18.3684      1.00000
     20     -18.2813      1.00000
     21     -18.1648      1.00000
     22     -18.1118      1.00000
     23     -18.0042      1.00000
     24     -17.9743      1.00000
     25     -17.8798      1.00000
     26     -17.8735      1.00000
     27     -15.0008      1.00000
     28     -14.9914      1.00000
     29     -14.2483      1.00000
     30     -14.2342      1.00000
     31     -12.8921      1.00000
     32     -12.8690      1.00000
     33      -8.5607      1.00000
     34      -8.5575      1.00000
     35      -5.4619      1.00000
     36      -5.4485      1.00000
     37      -5.1526      1.00000
     38      -5.0814      1.00000
     39      -4.2251      1.00000
     40      -4.1168      1.00000
     41      -3.7810      1.00000
     42      -3.7075      1.00000
     43      -3.4504      1.00000
     44      -3.3766      1.00000
     45      -3.3265      1.00000
     46      -3.3085      1.00000
     47      -2.8567      1.00000
     48      -2.8208      1.00000
     49      -2.6106      1.00000
     50      -2.6035      1.00000
     51      -1.1663      0.00000
     52      -1.1377      0.00000
     53      -1.0231      0.00000
     54      -0.9949      0.00000
     55       0.5795      0.00000
     56       0.5954      0.00000
     57       1.3147      0.00000
     58       1.3486      0.00000
     59       1.4632      0.00000
     60       1.5591      0.00000
     61       1.6722      0.00000
     62       1.7058      0.00000
     63       1.9976      0.00000
     64       2.0151      0.00000
     65       2.3845      0.00000
     66       2.4379      0.00000
     67       2.6663      0.00000
     68       2.7038      0.00000
     69       2.9930      0.00000
     70       3.0095      0.00000
     71       3.1300      0.00000
     72       3.1944      0.00000

 k-point    95 :      -0.1250    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3890      1.00000
      2     -36.3877      1.00000
      3     -36.2681      1.00000
      4     -36.2679      1.00000
      5     -23.9389      1.00000
      6     -23.9363      1.00000
      7     -23.9327      1.00000
      8     -23.9312      1.00000
      9     -22.9175      1.00000
     10     -22.9129      1.00000
     11     -22.9011      1.00000
     12     -22.9004      1.00000
     13     -22.8862      1.00000
     14     -22.8855      1.00000
     15     -19.3763      1.00000
     16     -19.3026      1.00000
     17     -19.1348      1.00000
     18     -19.1204      1.00000
     19     -18.3685      1.00000
     20     -18.2812      1.00000
     21     -18.1647      1.00000
     22     -18.1118      1.00000
     23     -18.0042      1.00000
     24     -17.9743      1.00000
     25     -17.8797      1.00000
     26     -17.8736      1.00000
     27     -15.0008      1.00000
     28     -14.9914      1.00000
     29     -14.2483      1.00000
     30     -14.2342      1.00000
     31     -12.8919      1.00000
     32     -12.8691      1.00000
     33      -8.5607      1.00000
     34      -8.5575      1.00000
     35      -5.4619      1.00000
     36      -5.4485      1.00000
     37      -5.1526      1.00000
     38      -5.0814      1.00000
     39      -4.2251      1.00000
     40      -4.1168      1.00000
     41      -3.7808      1.00000
     42      -3.7075      1.00000
     43      -3.4508      1.00000
     44      -3.3758      1.00000
     45      -3.3251      1.00000
     46      -3.3103      1.00000
     47      -2.8566      1.00000
     48      -2.8208      1.00000
     49      -2.6109      1.00000
     50      -2.6033      1.00000
     51      -1.1656      0.00000
     52      -1.1387      0.00000
     53      -1.0253      0.00000
     54      -0.9924      0.00000
     55       0.5793      0.00000
     56       0.5956      0.00000
     57       1.3166      0.00000
     58       1.3475      0.00000
     59       1.4604      0.00000
     60       1.5601      0.00000
     61       1.6743      0.00000
     62       1.7058      0.00000
     63       1.9884      0.00000
     64       2.0231      0.00000
     65       2.3869      0.00000
     66       2.4357      0.00000
     67       2.6642      0.00000
     68       2.7060      0.00000
     69       2.9896      0.00000
     70       3.0129      0.00000
     71       3.1296      0.00000
     72       3.1946      0.00000

 k-point    96 :      -0.0625    0.3125   -0.0000
  band No.  band energies     occupation 
      1     -36.3872      1.00000
      2     -36.3859      1.00000
      3     -36.2673      1.00000
      4     -36.2671      1.00000
      5     -23.9389      1.00000
      6     -23.9371      1.00000
      7     -23.9320      1.00000
      8     -23.9311      1.00000
      9     -22.9181      1.00000
     10     -22.9142      1.00000
     11     -22.9010      1.00000
     12     -22.9005      1.00000
     13     -22.8850      1.00000
     14     -22.8843      1.00000
     15     -19.3781      1.00000
     16     -19.3046      1.00000
     17     -19.1487      1.00000
     18     -19.1315      1.00000
     19     -18.3718      1.00000
     20     -18.2830      1.00000
     21     -18.1676      1.00000
     22     -18.1255      1.00000
     23     -18.0159      1.00000
     24     -17.9854      1.00000
     25     -17.8756      1.00000
     26     -17.8701      1.00000
     27     -14.9533      1.00000
     28     -14.9441      1.00000
     29     -14.2288      1.00000
     30     -14.2155      1.00000
     31     -12.8837      1.00000
     32     -12.8634      1.00000
     33      -8.6154      1.00000
     34      -8.6123      1.00000
     35      -5.7457      1.00000
     36      -5.7402      1.00000
     37      -4.9660      1.00000
     38      -4.8900      1.00000
     39      -4.2882      1.00000
     40      -4.1716      1.00000
     41      -3.8896      1.00000
     42      -3.8002      1.00000
     43      -3.3664      1.00000
     44      -3.3374      1.00000
     45      -3.1451      1.00000
     46      -3.1353      1.00000
     47      -2.8458      1.00000
     48      -2.8137      1.00000
     49      -2.5828      1.00000
     50      -2.5784      1.00000
     51      -1.4337      0.06173
     52      -1.4173      0.02262
     53      -0.9836      0.00000
     54      -0.9429      0.00000
     55       0.4245      0.00000
     56       0.4319      0.00000
     57       1.0611      0.00000
     58       1.1001      0.00000
     59       1.5085      0.00000
     60       1.5204      0.00000
     61       1.9415      0.00000
     62       1.9833      0.00000
     63       2.1575      0.00000
     64       2.2325      0.00000
     65       2.3997      0.00000
     66       2.4563      0.00000
     67       2.8042      0.00000
     68       2.8446      0.00000
     69       3.0130      0.00000
     70       3.0374      0.00000
     71       3.0923      0.00000
     72       3.1147      0.00000

 k-point    97 :       0.0000    0.3750   -0.0000
  band No.  band energies     occupation 
      1     -36.3767      1.00000
      2     -36.3754      1.00000
      3     -36.2629      1.00000
      4     -36.2627      1.00000
      5     -23.9396      1.00000
      6     -23.9384      1.00000
      7     -23.9305      1.00000
      8     -23.9303      1.00000
      9     -22.9213      1.00000
     10     -22.9190      1.00000
     11     -22.9006      1.00000
     12     -22.9005      1.00000
     13     -22.8804      1.00000
     14     -22.8797      1.00000
     15     -19.3875      1.00000
     16     -19.3241      1.00000
     17     -19.2139      1.00000
     18     -19.1887      1.00000
     19     -18.3782      1.00000
     20     -18.3037      1.00000
     21     -18.2185      1.00000
     22     -18.1849      1.00000
     23     -18.0520      1.00000
     24     -18.0334      1.00000
     25     -17.8801      1.00000
     26     -17.8779      1.00000
     27     -14.6448      1.00000
     28     -14.6380      1.00000
     29     -14.1282      1.00000
     30     -14.1194      1.00000
     31     -12.8380      1.00000
     32     -12.8246      1.00000
     33      -8.9551      1.00000
     34      -8.9505      1.00000
     35      -6.3255      1.00000
     36      -6.3205      1.00000
     37      -5.1054      1.00000
     38      -5.0650      1.00000
     39      -4.4432      1.00000
     40      -4.4353      1.00000
     41      -3.8916      1.00000
     42      -3.8508      1.00000
     43      -3.3514      1.00000
     44      -3.3273      1.00000
     45      -3.1317      1.00000
     46      -3.1296      1.00000
     47      -2.6869      1.00000
     48      -2.6713      1.00000
     49      -2.5206      1.00000
     50      -2.5181      1.00000
     51      -1.9886      1.00000
     52      -1.9821      1.00000
     53      -0.5330      0.00000
     54      -0.4822      0.00000
     55       0.1168      0.00000
     56       0.1230      0.00000
     57       0.8762      0.00000
     58       0.9138      0.00000
     59       1.3343      0.00000
     60       1.3781      0.00000
     61       2.1824      0.00000
     62       2.1867      0.00000
     63       2.4262      0.00000
     64       2.4347      0.00000
     65       2.6107      0.00000
     66       2.6271      0.00000
     67       2.8359      0.00000
     68       2.8542      0.00000
     69       3.5031      0.00000
     70       3.5087      0.00000
     71       3.5186      0.00000
     72       3.5254      0.00000

 k-point    98 :       0.0625    0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3735      1.00000
      2     -36.3722      1.00000
      3     -36.2616      1.00000
      4     -36.2614      1.00000
      5     -23.9398      1.00000
      6     -23.9384      1.00000
      7     -23.9307      1.00000
      8     -23.9298      1.00000
      9     -22.9219      1.00000
     10     -22.9196      1.00000
     11     -22.9009      1.00000
     12     -22.9003      1.00000
     13     -22.8795      1.00000
     14     -22.8788      1.00000
     15     -19.3894      1.00000
     16     -19.3336      1.00000
     17     -19.2271      1.00000
     18     -19.2041      1.00000
     19     -18.3789      1.00000
     20     -18.3168      1.00000
     21     -18.2414      1.00000
     22     -18.1893      1.00000
     23     -18.0665      1.00000
     24     -18.0428      1.00000
     25     -17.8902      1.00000
     26     -17.8829      1.00000
     27     -14.5324      1.00000
     28     -14.5268      1.00000
     29     -14.1058      1.00000
     30     -14.0984      1.00000
     31     -12.8252      1.00000
     32     -12.8103      1.00000
     33      -9.0644      1.00000
     34      -9.0592      1.00000
     35      -6.4267      1.00000
     36      -6.4219      1.00000
     37      -5.1767      1.00000
     38      -5.0957      1.00000
     39      -4.6771      1.00000
     40      -4.5715      1.00000
     41      -3.8995      1.00000
     42      -3.8580      1.00000
     43      -3.4040      1.00000
     44      -3.3306      1.00000
     45      -3.2595      1.00000
     46      -3.1872      1.00000
     47      -2.6430      1.00000
     48      -2.6318      1.00000
     49      -2.5325      1.00000
     50      -2.5237      1.00000
     51      -1.9627      1.00000
     52      -1.9459      1.00000
     53      -0.3356      0.00000
     54      -0.2797      0.00000
     55       0.1024      0.00000
     56       0.1063      0.00000
     57       1.0201      0.00000
     58       1.0515      0.00000
     59       1.2269      0.00000
     60       1.2729      0.00000
     61       2.0818      0.00000
     62       2.1165      0.00000
     63       2.3036      0.00000
     64       2.3918      0.00000
     65       2.6977      0.00000
     66       2.7165      0.00000
     67       3.0088      0.00000
     68       3.0362      0.00000
     69       3.4501      0.00000
     70       3.4818      0.00000
     71       3.7015      0.00000
     72       3.7023      0.00000

 k-point    99 :       0.1250    0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9397      1.00000
      6     -23.9378      1.00000
      7     -23.9314      1.00000
      8     -23.9295      1.00000
      9     -22.9214      1.00000
     10     -22.9189      1.00000
     11     -22.9019      1.00000
     12     -22.9005      1.00000
     13     -22.8794      1.00000
     14     -22.8787      1.00000
     15     -19.3936      1.00000
     16     -19.3363      1.00000
     17     -19.2345      1.00000
     18     -19.2139      1.00000
     19     -18.3878      1.00000
     20     -18.3332      1.00000
     21     -18.2651      1.00000
     22     -18.1828      1.00000
     23     -18.0903      1.00000
     24     -18.0489      1.00000
     25     -17.9126      1.00000
     26     -17.8919      1.00000
     27     -14.4114      1.00000
     28     -14.4074      1.00000
     29     -14.0868      1.00000
     30     -14.0794      1.00000
     31     -12.8133      1.00000
     32     -12.7913      1.00000
     33      -9.1504      1.00000
     34      -9.1430      1.00000
     35      -6.4409      1.00000
     36      -6.4352      1.00000
     37      -5.3707      1.00000
     38      -5.2293      1.00000
     39      -4.9799      1.00000
     40      -4.8049      1.00000
     41      -3.9276      1.00000
     42      -3.8598      1.00000
     43      -3.5637      1.00000
     44      -3.4971      1.00000
     45      -3.2794      1.00000
     46      -3.2393      1.00000
     47      -2.6535      1.00000
     48      -2.6440      1.00000
     49      -2.5456      1.00000
     50      -2.5351      1.00000
     51      -1.7536      1.00000
     52      -1.7263      1.00000
     53      -0.1167      0.00000
     54      -0.0603      0.00000
     55       0.2132      0.00000
     56       0.2167      0.00000
     57       1.0799      0.00000
     58       1.1256      0.00000
     59       1.4369      0.00000
     60       1.4711      0.00000
     61       1.8960      0.00000
     62       1.9369      0.00000
     63       2.1974      0.00000
     64       2.3067      0.00000
     65       2.8125      0.00000
     66       2.8591      0.00000
     67       3.2301      0.00000
     68       3.2581      0.00000
     69       3.4045      0.00000
     70       3.4364      0.00000
     71       3.7897      0.00000
     72       3.8021      0.00000

 k-point   100 :       0.1875    0.3750   -0.0000
  band No.  band energies     occupation 
      1     -36.3675      1.00000
      2     -36.3662      1.00000
      3     -36.2591      1.00000
      4     -36.2590      1.00000
      5     -23.9390      1.00000
      6     -23.9370      1.00000
      7     -23.9324      1.00000
      8     -23.9294      1.00000
      9     -22.9198      1.00000
     10     -22.9172      1.00000
     11     -22.9038      1.00000
     12     -22.9012      1.00000
     13     -22.8800      1.00000
     14     -22.8791      1.00000
     15     -19.3994      1.00000
     16     -19.3318      1.00000
     17     -19.2367      1.00000
     18     -19.2178      1.00000
     19     -18.4051      1.00000
     20     -18.3597      1.00000
     21     -18.2655      1.00000
     22     -18.1788      1.00000
     23     -18.1132      1.00000
     24     -18.0520      1.00000
     25     -17.9433      1.00000
     26     -17.9020      1.00000
     27     -14.2987      1.00000
     28     -14.2963      1.00000
     29     -14.0762      1.00000
     30     -14.0675      1.00000
     31     -12.8029      1.00000
     32     -12.7734      1.00000
     33      -9.2045      1.00000
     34      -9.1942      1.00000
     35      -6.3665      1.00000
     36      -6.3587      1.00000
     37      -5.6590      1.00000
     38      -5.5584      1.00000
     39      -5.1671      1.00000
     40      -5.0508      1.00000
     41      -3.9714      1.00000
     42      -3.8767      1.00000
     43      -3.7132      1.00000
     44      -3.6405      1.00000
     45      -3.2155      1.00000
     46      -3.2028      1.00000
     47      -2.7085      1.00000
     48      -2.7005      1.00000
     49      -2.5599      1.00000
     50      -2.5495      1.00000
     51      -1.5432      0.94022
     52      -1.5153      0.77867
     53       0.0512      0.00000
     54       0.1011      0.00000
     55       0.4384      0.00000
     56       0.4448      0.00000
     57       1.0337      0.00000
     58       1.0814      0.00000
     59       1.6057      0.00000
     60       1.6211      0.00000
     61       1.8142      0.00000
     62       1.8548      0.00000
     63       2.3683      0.00000
     64       2.4544      0.00000
     65       2.8408      0.00000
     66       2.9128      0.00000
     67       3.1769      0.00000
     68       3.1976      0.00000
     69       3.5390      0.00000
     70       3.5780      0.00000
     71       3.9574      0.00000
     72       4.0066      0.00000

 k-point   101 :       0.2500    0.3750   -0.0000
  band No.  band energies     occupation 
      1     -36.3657      1.00000
      2     -36.3643      1.00000
      3     -36.2584      1.00000
      4     -36.2582      1.00000
      5     -23.9381      1.00000
      6     -23.9364      1.00000
      7     -23.9335      1.00000
      8     -23.9295      1.00000
      9     -22.9174      1.00000
     10     -22.9151      1.00000
     11     -22.9064      1.00000
     12     -22.9021      1.00000
     13     -22.8805      1.00000
     14     -22.8798      1.00000
     15     -19.4039      1.00000
     16     -19.3256      1.00000
     17     -19.2356      1.00000
     18     -19.2182      1.00000
     19     -18.4212      1.00000
     20     -18.3852      1.00000
     21     -18.2510      1.00000
     22     -18.1842      1.00000
     23     -18.1294      1.00000
     24     -18.0438      1.00000
     25     -17.9767      1.00000
     26     -17.9094      1.00000
     27     -14.2131      1.00000
     28     -14.2113      1.00000
     29     -14.0777      1.00000
     30     -14.0665      1.00000
     31     -12.7957      1.00000
     32     -12.7610      1.00000
     33      -9.2302      1.00000
     34      -9.2175      1.00000
     35      -6.2377      1.00000
     36      -6.2287      1.00000
     37      -5.8666      1.00000
     38      -5.8018      1.00000
     39      -5.4016      1.00000
     40      -5.3404      1.00000
     41      -3.9953      1.00000
     42      -3.9205      1.00000
     43      -3.7383      1.00000
     44      -3.6875      1.00000
     45      -3.1121      1.00000
     46      -3.1025      1.00000
     47      -2.7976      1.00000
     48      -2.7932      1.00000
     49      -2.5788      1.00000
     50      -2.5703      1.00000
     51      -1.4150      0.01924
     52      -1.3963      0.00467
     53       0.1442      0.00000
     54       0.1979      0.00000
     55       0.6607      0.00000
     56       0.6744      0.00000
     57       1.0503      0.00000
     58       1.0888      0.00000
     59       1.4759      0.00000
     60       1.5389      0.00000
     61       1.8529      0.00000
     62       1.9083      0.00000
     63       2.6526      0.00000
     64       2.6660      0.00000
     65       2.8446      0.00000
     66       2.8707      0.00000
     67       2.9425      0.00000
     68       3.0469      0.00000
     69       3.6070      0.00000
     70       3.6945      0.00000
     71       4.2479      0.00000
     72       4.2800      0.00000

 k-point   102 :       0.3125    0.3750   -0.0000
  band No.  band energies     occupation 
      1     -36.3650      1.00000
      2     -36.3637      1.00000
      3     -36.2581      1.00000
      4     -36.2579      1.00000
      5     -23.9374      1.00000
      6     -23.9363      1.00000
      7     -23.9341      1.00000
      8     -23.9295      1.00000
      9     -22.9162      1.00000
     10     -22.9138      1.00000
     11     -22.9081      1.00000
     12     -22.9026      1.00000
     13     -22.8806      1.00000
     14     -22.8802      1.00000
     15     -19.4056      1.00000
     16     -19.3229      1.00000
     17     -19.2345      1.00000
     18     -19.2181      1.00000
     19     -18.4277      1.00000
     20     -18.3954      1.00000
     21     -18.2413      1.00000
     22     -18.1906      1.00000
     23     -18.1354      1.00000
     24     -18.0313      1.00000
     25     -17.9979      1.00000
     26     -17.9122      1.00000
     27     -14.1786      1.00000
     28     -14.1748      1.00000
     29     -14.0839      1.00000
     30     -14.0702      1.00000
     31     -12.7932      1.00000
     32     -12.7565      1.00000
     33      -9.2370      1.00000
     34      -9.2233      1.00000
     35      -6.1799      1.00000
     36      -6.1663      1.00000
     37      -5.8778      1.00000
     38      -5.8536      1.00000
     39      -5.5499      1.00000
     40      -5.5266      1.00000
     41      -3.9991      1.00000
     42      -3.9392      1.00000
     43      -3.7300      1.00000
     44      -3.6966      1.00000
     45      -3.0289      1.00000
     46      -3.0102      1.00000
     47      -2.8809      1.00000
     48      -2.8718      1.00000
     49      -2.5871      1.00000
     50      -2.5802      1.00000
     51      -1.3733      0.00058
     52      -1.3633      0.00021
     53       0.1721      0.00000
     54       0.2303      0.00000
     55       0.7466      0.00000
     56       0.7637      0.00000
     57       1.0715      0.00000
     58       1.1064      0.00000
     59       1.4365      0.00000
     60       1.5199      0.00000
     61       1.8933      0.00000
     62       1.9538      0.00000
     63       2.5791      0.00000
     64       2.5964      0.00000
     65       2.7169      0.00000
     66       2.7531      0.00000
     67       3.1882      0.00000
     68       3.2659      0.00000
     69       3.5227      0.00000
     70       3.5836      0.00000
     71       4.3871      0.00000
     72       4.4168      0.00000

 k-point   103 :       0.3750    0.3750   -0.0000
  band No.  band energies     occupation 
      1     -36.3657      1.00000
      2     -36.3643      1.00000
      3     -36.2584      1.00000
      4     -36.2582      1.00000
      5     -23.9381      1.00000
      6     -23.9364      1.00000
      7     -23.9335      1.00000
      8     -23.9294      1.00000
      9     -22.9174      1.00000
     10     -22.9151      1.00000
     11     -22.9064      1.00000
     12     -22.9021      1.00000
     13     -22.8804      1.00000
     14     -22.8798      1.00000
     15     -19.4040      1.00000
     16     -19.3255      1.00000
     17     -19.2356      1.00000
     18     -19.2182      1.00000
     19     -18.4212      1.00000
     20     -18.3852      1.00000
     21     -18.2509      1.00000
     22     -18.1843      1.00000
     23     -18.1295      1.00000
     24     -18.0438      1.00000
     25     -17.9767      1.00000
     26     -17.9094      1.00000
     27     -14.2131      1.00000
     28     -14.2113      1.00000
     29     -14.0777      1.00000
     30     -14.0665      1.00000
     31     -12.7958      1.00000
     32     -12.7609      1.00000
     33      -9.2302      1.00000
     34      -9.2175      1.00000
     35      -6.2377      1.00000
     36      -6.2287      1.00000
     37      -5.8666      1.00000
     38      -5.8018      1.00000
     39      -5.4016      1.00000
     40      -5.3404      1.00000
     41      -3.9953      1.00000
     42      -3.9205      1.00000
     43      -3.7383      1.00000
     44      -3.6875      1.00000
     45      -3.1125      1.00000
     46      -3.1022      1.00000
     47      -2.7970      1.00000
     48      -2.7939      1.00000
     49      -2.5782      1.00000
     50      -2.5709      1.00000
     51      -1.4150      0.01927
     52      -1.3962      0.00466
     53       0.1469      0.00000
     54       0.1953      0.00000
     55       0.6614      0.00000
     56       0.6739      0.00000
     57       1.0557      0.00000
     58       1.0834      0.00000
     59       1.4750      0.00000
     60       1.5395      0.00000
     61       1.8558      0.00000
     62       1.9052      0.00000
     63       2.6435      0.00000
     64       2.6755      0.00000
     65       2.8496      0.00000
     66       2.8656      0.00000
     67       2.9407      0.00000
     68       3.0489      0.00000
     69       3.6107      0.00000
     70       3.6905      0.00000
     71       4.2532      0.00000
     72       4.2754      0.00000

 k-point   104 :       0.4375    0.3750   -0.0000
  band No.  band energies     occupation 
      1     -36.3675      1.00000
      2     -36.3662      1.00000
      3     -36.2591      1.00000
      4     -36.2590      1.00000
      5     -23.9390      1.00000
      6     -23.9370      1.00000
      7     -23.9324      1.00000
      8     -23.9294      1.00000
      9     -22.9198      1.00000
     10     -22.9172      1.00000
     11     -22.9038      1.00000
     12     -22.9012      1.00000
     13     -22.8799      1.00000
     14     -22.8792      1.00000
     15     -19.3997      1.00000
     16     -19.3315      1.00000
     17     -19.2367      1.00000
     18     -19.2178      1.00000
     19     -18.4050      1.00000
     20     -18.3597      1.00000
     21     -18.2654      1.00000
     22     -18.1790      1.00000
     23     -18.1133      1.00000
     24     -18.0520      1.00000
     25     -17.9433      1.00000
     26     -17.9019      1.00000
     27     -14.2987      1.00000
     28     -14.2963      1.00000
     29     -14.0762      1.00000
     30     -14.0675      1.00000
     31     -12.8032      1.00000
     32     -12.7731      1.00000
     33      -9.2045      1.00000
     34      -9.1942      1.00000
     35      -6.3665      1.00000
     36      -6.3587      1.00000
     37      -5.6590      1.00000
     38      -5.5584      1.00000
     39      -5.1671      1.00000
     40      -5.0508      1.00000
     41      -3.9713      1.00000
     42      -3.8767      1.00000
     43      -3.7132      1.00000
     44      -3.6405      1.00000
     45      -3.2151      1.00000
     46      -3.2031      1.00000
     47      -2.7089      1.00000
     48      -2.7001      1.00000
     49      -2.5591      1.00000
     50      -2.5503      1.00000
     51      -1.5432      0.94030
     52      -1.5153      0.77847
     53       0.0611      0.00000
     54       0.0914      0.00000
     55       0.4365      0.00000
     56       0.4466      0.00000
     57       1.0407      0.00000
     58       1.0739      0.00000
     59       1.6055      0.00000
     60       1.6213      0.00000
     61       1.8193      0.00000
     62       1.8498      0.00000
     63       2.3650      0.00000
     64       2.4587      0.00000
     65       2.8318      0.00000
     66       2.9212      0.00000
     67       3.1848      0.00000
     68       3.1894      0.00000
     69       3.5417      0.00000
     70       3.5755      0.00000
     71       3.9642      0.00000
     72       3.9940      0.00000

 k-point   105 :       0.5000    0.3750   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9397      1.00000
      6     -23.9378      1.00000
      7     -23.9313      1.00000
      8     -23.9295      1.00000
      9     -22.9214      1.00000
     10     -22.9189      1.00000
     11     -22.9019      1.00000
     12     -22.9005      1.00000
     13     -22.8794      1.00000
     14     -22.8787      1.00000
     15     -19.3940      1.00000
     16     -19.3359      1.00000
     17     -19.2344      1.00000
     18     -19.2140      1.00000
     19     -18.3876      1.00000
     20     -18.3335      1.00000
     21     -18.2650      1.00000
     22     -18.1830      1.00000
     23     -18.0902      1.00000
     24     -18.0490      1.00000
     25     -17.9126      1.00000
     26     -17.8918      1.00000
     27     -14.4114      1.00000
     28     -14.4074      1.00000
     29     -14.0868      1.00000
     30     -14.0794      1.00000
     31     -12.8137      1.00000
     32     -12.7908      1.00000
     33      -9.1504      1.00000
     34      -9.1430      1.00000
     35      -6.4409      1.00000
     36      -6.4353      1.00000
     37      -5.3707      1.00000
     38      -5.2293      1.00000
     39      -4.9799      1.00000
     40      -4.8050      1.00000
     41      -3.9275      1.00000
     42      -3.8599      1.00000
     43      -3.5638      1.00000
     44      -3.4971      1.00000
     45      -3.2787      1.00000
     46      -3.2399      1.00000
     47      -2.6543      1.00000
     48      -2.6433      1.00000
     49      -2.5450      1.00000
     50      -2.5358      1.00000
     51      -1.7536      1.00000
     52      -1.7263      1.00000
     53      -0.0976      0.00000
     54      -0.0795      0.00000
     55       0.2117      0.00000
     56       0.2182      0.00000
     57       1.0820      0.00000
     58       1.1226      0.00000
     59       1.4383      0.00000
     60       1.4702      0.00000
     61       1.8960      0.00000
     62       1.9379      0.00000
     63       2.1940      0.00000
     64       2.3096      0.00000
     65       2.8065      0.00000
     66       2.8648      0.00000
     67       3.2356      0.00000
     68       3.2525      0.00000
     69       3.4109      0.00000
     70       3.4300      0.00000
     71       3.7894      0.00000
     72       3.8024      0.00000

 k-point   106 :      -0.4375    0.3750   -0.0000
  band No.  band energies     occupation 
      1     -36.3735      1.00000
      2     -36.3722      1.00000
      3     -36.2616      1.00000
      4     -36.2614      1.00000
      5     -23.9398      1.00000
      6     -23.9384      1.00000
      7     -23.9307      1.00000
      8     -23.9298      1.00000
      9     -22.9218      1.00000
     10     -22.9197      1.00000
     11     -22.9009      1.00000
     12     -22.9003      1.00000
     13     -22.8794      1.00000
     14     -22.8788      1.00000
     15     -19.3899      1.00000
     16     -19.3332      1.00000
     17     -19.2270      1.00000
     18     -19.2041      1.00000
     19     -18.3785      1.00000
     20     -18.3173      1.00000
     21     -18.2412      1.00000
     22     -18.1894      1.00000
     23     -18.0665      1.00000
     24     -18.0429      1.00000
     25     -17.8903      1.00000
     26     -17.8828      1.00000
     27     -14.5324      1.00000
     28     -14.5269      1.00000
     29     -14.1058      1.00000
     30     -14.0984      1.00000
     31     -12.8259      1.00000
     32     -12.8096      1.00000
     33      -9.0644      1.00000
     34      -9.0592      1.00000
     35      -6.4267      1.00000
     36      -6.4220      1.00000
     37      -5.1767      1.00000
     38      -5.0957      1.00000
     39      -4.6770      1.00000
     40      -4.5715      1.00000
     41      -3.8994      1.00000
     42      -3.8581      1.00000
     43      -3.4047      1.00000
     44      -3.3298      1.00000
     45      -3.2593      1.00000
     46      -3.1876      1.00000
     47      -2.6431      1.00000
     48      -2.6317      1.00000
     49      -2.5323      1.00000
     50      -2.5240      1.00000
     51      -1.9627      1.00000
     52      -1.9459      1.00000
     53      -0.3140      0.00000
     54      -0.3015      0.00000
     55       0.1029      0.00000
     56       0.1058      0.00000
     57       1.0218      0.00000
     58       1.0497      0.00000
     59       1.2215      0.00000
     60       1.2783      0.00000
     61       2.0833      0.00000
     62       2.1153      0.00000
     63       2.3022      0.00000
     64       2.3931      0.00000
     65       2.6937      0.00000
     66       2.7201      0.00000
     67       3.0192      0.00000
     68       3.0257      0.00000
     69       3.4550      0.00000
     70       3.4771      0.00000
     71       3.6947      0.00000
     72       3.7091      0.00000

 k-point   107 :      -0.3750    0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3767      1.00000
      2     -36.3754      1.00000
      3     -36.2629      1.00000
      4     -36.2627      1.00000
      5     -23.9396      1.00000
      6     -23.9384      1.00000
      7     -23.9305      1.00000
      8     -23.9303      1.00000
      9     -22.9213      1.00000
     10     -22.9190      1.00000
     11     -22.9005      1.00000
     12     -22.9005      1.00000
     13     -22.8804      1.00000
     14     -22.8797      1.00000
     15     -19.3878      1.00000
     16     -19.3238      1.00000
     17     -19.2138      1.00000
     18     -19.1888      1.00000
     19     -18.3778      1.00000
     20     -18.3042      1.00000
     21     -18.2184      1.00000
     22     -18.1849      1.00000
     23     -18.0520      1.00000
     24     -18.0335      1.00000
     25     -17.8801      1.00000
     26     -17.8779      1.00000
     27     -14.6448      1.00000
     28     -14.6380      1.00000
     29     -14.1282      1.00000
     30     -14.1194      1.00000
     31     -12.8387      1.00000
     32     -12.8239      1.00000
     33      -8.9551      1.00000
     34      -8.9505      1.00000
     35      -6.3255      1.00000
     36      -6.3205      1.00000
     37      -5.1053      1.00000
     38      -5.0650      1.00000
     39      -4.4432      1.00000
     40      -4.4353      1.00000
     41      -3.8918      1.00000
     42      -3.8506      1.00000
     43      -3.3521      1.00000
     44      -3.3267      1.00000
     45      -3.1316      1.00000
     46      -3.1297      1.00000
     47      -2.6860      1.00000
     48      -2.6721      1.00000
     49      -2.5201      1.00000
     50      -2.5187      1.00000
     51      -1.9886      1.00000
     52      -1.9821      1.00000
     53      -0.5153      0.00000
     54      -0.5002      0.00000
     55       0.1174      0.00000
     56       0.1224      0.00000
     57       0.8765      0.00000
     58       0.9134      0.00000
     59       1.3284      0.00000
     60       1.3842      0.00000
     61       2.1838      0.00000
     62       2.1852      0.00000
     63       2.4260      0.00000
     64       2.4350      0.00000
     65       2.6143      0.00000
     66       2.6235      0.00000
     67       2.8410      0.00000
     68       2.8492      0.00000
     69       3.5034      0.00000
     70       3.5052      0.00000
     71       3.5214      0.00000
     72       3.5261      0.00000

 k-point   108 :      -0.3125    0.3750   -0.0000
  band No.  band energies     occupation 
      1     -36.3795      1.00000
      2     -36.3782      1.00000
      3     -36.2641      1.00000
      4     -36.2638      1.00000
      5     -23.9394      1.00000
      6     -23.9376      1.00000
      7     -23.9313      1.00000
      8     -23.9305      1.00000
      9     -22.9202      1.00000
     10     -22.9171      1.00000
     11     -22.9009      1.00000
     12     -22.9006      1.00000
     13     -22.8820      1.00000
     14     -22.8813      1.00000
     15     -19.3862      1.00000
     16     -19.3132      1.00000
     17     -19.1970      1.00000
     18     -19.1717      1.00000
     19     -18.3785      1.00000
     20     -18.2936      1.00000
     21     -18.2171      1.00000
     22     -18.1637      1.00000
     23     -18.0455      1.00000
     24     -18.0209      1.00000
     25     -17.8825      1.00000
     26     -17.8777      1.00000
     27     -14.7349      1.00000
     28     -14.7270      1.00000
     29     -14.1487      1.00000
     30     -14.1379      1.00000
     31     -12.8506      1.00000
     32     -12.8315      1.00000
     33      -8.8432      1.00000
     34      -8.8381      1.00000
     35      -6.1486      1.00000
     36      -6.1425      1.00000
     37      -5.1229      1.00000
     38      -5.0497      1.00000
     39      -4.5058      1.00000
     40      -4.4116      1.00000
     41      -3.8867      1.00000
     42      -3.8232      1.00000
     43      -3.3839      1.00000
     44      -3.3196      1.00000
     45      -3.1987      1.00000
     46      -3.1461      1.00000
     47      -2.7616      1.00000
     48      -2.7436      1.00000
     49      -2.5511      1.00000
     50      -2.5489      1.00000
     51      -1.7285      1.00000
     52      -1.7122      1.00000
     53      -0.6521      0.00000
     54      -0.6299      0.00000
     55       0.2332      0.00000
     56       0.2383      0.00000
     57       1.0429      0.00000
     58       1.0882      0.00000
     59       1.3953      0.00000
     60       1.4430      0.00000
     61       2.0980      0.00000
     62       2.1274      0.00000
     63       2.2907      0.00000
     64       2.3239      0.00000
     65       2.5543      0.00000
     66       2.5814      0.00000
     67       2.8857      0.00000
     68       2.8953      0.00000
     69       3.2423      0.00000
     70       3.2740      0.00000
     71       3.4387      0.00000
     72       3.4471      0.00000

 k-point   109 :      -0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3813      1.00000
      2     -36.3800      1.00000
      3     -36.2648      1.00000
      4     -36.2646      1.00000
      5     -23.9393      1.00000
      6     -23.9364      1.00000
      7     -23.9322      1.00000
      8     -23.9307      1.00000
      9     -22.9192      1.00000
     10     -22.9150      1.00000
     11     -22.9012      1.00000
     12     -22.9009      1.00000
     13     -22.8835      1.00000
     14     -22.8828      1.00000
     15     -19.3846      1.00000
     16     -19.3058      1.00000
     17     -19.1824      1.00000
     18     -19.1581      1.00000
     19     -18.3780      1.00000
     20     -18.2857      1.00000
     21     -18.2240      1.00000
     22     -18.1471      1.00000
     23     -18.0367      1.00000
     24     -18.0128      1.00000
     25     -17.8896      1.00000
     26     -17.8826      1.00000
     27     -14.7928      1.00000
     28     -14.7842      1.00000
     29     -14.1630      1.00000
     30     -14.1505      1.00000
     31     -12.8584      1.00000
     32     -12.8346      1.00000
     33      -8.7576      1.00000
     34      -8.7520      1.00000
     35      -5.9121      1.00000
     36      -5.9021      1.00000
     37      -5.2855      1.00000
     38      -5.2117      1.00000
     39      -4.4870      1.00000
     40      -4.3769      1.00000
     41      -3.9186      1.00000
     42      -3.8322      1.00000
     43      -3.4960      1.00000
     44      -3.4096      1.00000
     45      -3.2503      1.00000
     46      -3.2147      1.00000
     47      -2.8368      1.00000
     48      -2.8144      1.00000
     49      -2.5796      1.00000
     50      -2.5732      1.00000
     51      -1.3656      0.00027
     52      -1.3389      0.00001
     53      -0.7227      0.00000
     54      -0.6935      0.00000
     55       0.3990      0.00000
     56       0.4067      0.00000
     57       1.2828      0.00000
     58       1.3486      0.00000
     59       1.4332      0.00000
     60       1.4944      0.00000
     61       1.8434      0.00000
     62       1.8957      0.00000
     63       2.2426      0.00000
     64       2.2730      0.00000
     65       2.4880      0.00000
     66       2.5223      0.00000
     67       2.8785      0.00000
     68       2.9092      0.00000
     69       3.1684      0.00000
     70       3.2014      0.00000
     71       3.3538      0.00000
     72       3.3633      0.00000

 k-point   110 :      -0.1875    0.3750   -0.0000
  band No.  band energies     occupation 
      1     -36.3820      1.00000
      2     -36.3807      1.00000
      3     -36.2651      1.00000
      4     -36.2648      1.00000
      5     -23.9392      1.00000
      6     -23.9358      1.00000
      7     -23.9328      1.00000
      8     -23.9309      1.00000
      9     -22.9187      1.00000
     10     -22.9140      1.00000
     11     -22.9013      1.00000
     12     -22.9011      1.00000
     13     -22.8842      1.00000
     14     -22.8835      1.00000
     15     -19.3839      1.00000
     16     -19.3032      1.00000
     17     -19.1765      1.00000
     18     -19.1528      1.00000
     19     -18.3776      1.00000
     20     -18.2820      1.00000
     21     -18.2286      1.00000
     22     -18.1414      1.00000
     23     -18.0313      1.00000
     24     -18.0102      1.00000
     25     -17.8937      1.00000
     26     -17.8855      1.00000
     27     -14.8127      1.00000
     28     -14.8039      1.00000
     29     -14.1680      1.00000
     30     -14.1550      1.00000
     31     -12.8610      1.00000
     32     -12.8355      1.00000
     33      -8.7254      1.00000
     34      -8.7195      1.00000
     35      -5.7134      1.00000
     36      -5.6943      1.00000
     37      -5.4896      1.00000
     38      -5.4202      1.00000
     39      -4.3792      1.00000
     40      -4.3132      1.00000
     41      -3.9607      1.00000
     42      -3.9280      1.00000
     43      -3.5440      1.00000
     44      -3.4581      1.00000
     45      -3.2641      1.00000
     46      -3.2471      1.00000
     47      -2.8651      1.00000
     48      -2.8398      1.00000
     49      -2.5882      1.00000
     50      -2.5798      1.00000
     51      -1.1954      0.00000
     52      -1.1645      0.00000
     53      -0.7443      0.00000
     54      -0.7095      0.00000
     55       0.5109      0.00000
     56       0.5215      0.00000
     57       1.1589      0.00000
     58       1.2275      0.00000
     59       1.6277      0.00000
     60       1.6949      0.00000
     61       1.8225      0.00000
     62       1.8581      0.00000
     63       2.1911      0.00000
     64       2.2451      0.00000
     65       2.4055      0.00000
     66       2.4626      0.00000
     67       2.7962      0.00000
     68       2.8388      0.00000
     69       3.2293      0.00000
     70       3.2412      0.00000
     71       3.3282      0.00000
     72       3.3885      0.00000

 k-point   111 :      -0.1250    0.3750   -0.0000
  band No.  band energies     occupation 
      1     -36.3813      1.00000
      2     -36.3800      1.00000
      3     -36.2648      1.00000
      4     -36.2646      1.00000
      5     -23.9393      1.00000
      6     -23.9365      1.00000
      7     -23.9322      1.00000
      8     -23.9307      1.00000
      9     -22.9192      1.00000
     10     -22.9150      1.00000
     11     -22.9012      1.00000
     12     -22.9009      1.00000
     13     -22.8835      1.00000
     14     -22.8828      1.00000
     15     -19.3845      1.00000
     16     -19.3059      1.00000
     17     -19.1824      1.00000
     18     -19.1580      1.00000
     19     -18.3782      1.00000
     20     -18.2855      1.00000
     21     -18.2240      1.00000
     22     -18.1471      1.00000
     23     -18.0366      1.00000
     24     -18.0128      1.00000
     25     -17.8896      1.00000
     26     -17.8826      1.00000
     27     -14.7928      1.00000
     28     -14.7842      1.00000
     29     -14.1630      1.00000
     30     -14.1505      1.00000
     31     -12.8582      1.00000
     32     -12.8348      1.00000
     33      -8.7576      1.00000
     34      -8.7520      1.00000
     35      -5.9121      1.00000
     36      -5.9022      1.00000
     37      -5.2855      1.00000
     38      -5.2117      1.00000
     39      -4.4870      1.00000
     40      -4.3769      1.00000
     41      -3.9185      1.00000
     42      -3.8323      1.00000
     43      -3.4963      1.00000
     44      -3.4093      1.00000
     45      -3.2485      1.00000
     46      -3.2164      1.00000
     47      -2.8371      1.00000
     48      -2.8141      1.00000
     49      -2.5800      1.00000
     50      -2.5729      1.00000
     51      -1.3656      0.00026
     52      -1.3390      0.00001
     53      -0.7279      0.00000
     54      -0.6881      0.00000
     55       0.3987      0.00000
     56       0.4071      0.00000
     57       1.2834      0.00000
     58       1.3487      0.00000
     59       1.4338      0.00000
     60       1.4929      0.00000
     61       1.8383      0.00000
     62       1.9026      0.00000
     63       2.2320      0.00000
     64       2.2826      0.00000
     65       2.4900      0.00000
     66       2.5192      0.00000
     67       2.8764      0.00000
     68       2.9117      0.00000
     69       3.1688      0.00000
     70       3.2012      0.00000
     71       3.3508      0.00000
     72       3.3661      0.00000

 k-point   112 :      -0.0625    0.3750   -0.0000
  band No.  band energies     occupation 
      1     -36.3795      1.00000
      2     -36.3782      1.00000
      3     -36.2640      1.00000
      4     -36.2638      1.00000
      5     -23.9394      1.00000
      6     -23.9376      1.00000
      7     -23.9313      1.00000
      8     -23.9305      1.00000
      9     -22.9202      1.00000
     10     -22.9171      1.00000
     11     -22.9009      1.00000
     12     -22.9006      1.00000
     13     -22.8820      1.00000
     14     -22.8813      1.00000
     15     -19.3859      1.00000
     16     -19.3134      1.00000
     17     -19.1971      1.00000
     18     -19.1716      1.00000
     19     -18.3788      1.00000
     20     -18.2932      1.00000
     21     -18.2170      1.00000
     22     -18.1638      1.00000
     23     -18.0455      1.00000
     24     -18.0209      1.00000
     25     -17.8825      1.00000
     26     -17.8777      1.00000
     27     -14.7349      1.00000
     28     -14.7270      1.00000
     29     -14.1487      1.00000
     30     -14.1379      1.00000
     31     -12.8502      1.00000
     32     -12.8319      1.00000
     33      -8.8432      1.00000
     34      -8.8381      1.00000
     35      -6.1486      1.00000
     36      -6.1425      1.00000
     37      -5.1229      1.00000
     38      -5.0497      1.00000
     39      -4.5058      1.00000
     40      -4.4117      1.00000
     41      -3.8864      1.00000
     42      -3.8235      1.00000
     43      -3.3847      1.00000
     44      -3.3183      1.00000
     45      -3.1985      1.00000
     46      -3.1467      1.00000
     47      -2.7626      1.00000
     48      -2.7426      1.00000
     49      -2.5519      1.00000
     50      -2.5482      1.00000
     51      -1.7285      1.00000
     52      -1.7122      1.00000
     53      -0.6635      0.00000
     54      -0.6184      0.00000
     55       0.2328      0.00000
     56       0.2387      0.00000
     57       1.0428      0.00000
     58       1.0885      0.00000
     59       1.4005      0.00000
     60       1.4375      0.00000
     61       2.0985      0.00000
     62       2.1283      0.00000
     63       2.2820      0.00000
     64       2.3332      0.00000
     65       2.5455      0.00000
     66       2.5886      0.00000
     67       2.8813      0.00000
     68       2.8990      0.00000
     69       3.2473      0.00000
     70       3.2695      0.00000
     71       3.4386      0.00000
     72       3.4469      0.00000

 k-point   113 :       0.0000    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3719      1.00000
      2     -36.3706      1.00000
      3     -36.2610      1.00000
      4     -36.2608      1.00000
      5     -23.9398      1.00000
      6     -23.9391      1.00000
      7     -23.9299      1.00000
      8     -23.9298      1.00000
      9     -22.9225      1.00000
     10     -22.9213      1.00000
     11     -22.9004      1.00000
     12     -22.9003      1.00000
     13     -22.8782      1.00000
     14     -22.8778      1.00000
     15     -19.3862      1.00000
     16     -19.3498      1.00000
     17     -19.2334      1.00000
     18     -19.2172      1.00000
     19     -18.3717      1.00000
     20     -18.3311      1.00000
     21     -18.2296      1.00000
     22     -18.2109      1.00000
     23     -18.0623      1.00000
     24     -18.0531      1.00000
     25     -17.8844      1.00000
     26     -17.8835      1.00000
     27     -14.4649      1.00000
     28     -14.4611      1.00000
     29     -14.1059      1.00000
     30     -14.1013      1.00000
     31     -12.8167      1.00000
     32     -12.8094      1.00000
     33      -9.1467      1.00000
     34      -9.1436      1.00000
     35      -6.5416      1.00000
     36      -6.5388      1.00000
     37      -5.1183      1.00000
     38      -5.0962      1.00000
     39      -4.5427      1.00000
     40      -4.5394      1.00000
     41      -3.9216      1.00000
     42      -3.9018      1.00000
     43      -3.3657      1.00000
     44      -3.3450      1.00000
     45      -3.1714      1.00000
     46      -3.1683      1.00000
     47      -2.5823      1.00000
     48      -2.5736      1.00000
     49      -2.4992      1.00000
     50      -2.4969      1.00000
     51      -2.1811      1.00000
     52      -2.1764      1.00000
     53      -0.2092      0.00000
     54      -0.1625      0.00000
     55       0.0077      0.00000
     56       0.0103      0.00000
     57       0.8662      0.00000
     58       0.8840      0.00000
     59       1.1129      0.00000
     60       1.1585      0.00000
     61       2.1176      0.00000
     62       2.1201      0.00000
     63       2.4383      0.00000
     64       2.4425      0.00000
     65       2.6322      0.00000
     66       2.6415      0.00000
     67       3.1488      0.00000
     68       3.1692      0.00000
     69       3.5809      0.00000
     70       3.5969      0.00000
     71       3.7591      0.00000
     72       3.7703      0.00000

 k-point   114 :       0.0625    0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9399      1.00000
      6     -23.9389      1.00000
      7     -23.9304      1.00000
      8     -23.9294      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9009      1.00000
     12     -22.9001      1.00000
     13     -22.8780      1.00000
     14     -22.8775      1.00000
     15     -19.3863      1.00000
     16     -19.3556      1.00000
     17     -19.2360      1.00000
     18     -19.2248      1.00000
     19     -18.3728      1.00000
     20     -18.3406      1.00000
     21     -18.2492      1.00000
     22     -18.2016      1.00000
     23     -18.0779      1.00000
     24     -18.0520      1.00000
     25     -17.8950      1.00000
     26     -17.8858      1.00000
     27     -14.3941      1.00000
     28     -14.3920      1.00000
     29     -14.1027      1.00000
     30     -14.0987      1.00000
     31     -12.8114      1.00000
     32     -12.7994      1.00000
     33      -9.2002      1.00000
     34      -9.1961      1.00000
     35      -6.5701      1.00000
     36      -6.5673      1.00000
     37      -5.1825      1.00000
     38      -5.0869      1.00000
     39      -4.7681      1.00000
     40      -4.6420      1.00000
     41      -3.9261      1.00000
     42      -3.8992      1.00000
     43      -3.4079      1.00000
     44      -3.3590      1.00000
     45      -3.2754      1.00000
     46      -3.2183      1.00000
     47      -2.5717      1.00000
     48      -2.5546      1.00000
     49      -2.5247      1.00000
     50      -2.5046      1.00000
     51      -2.0922      1.00000
     52      -2.0759      1.00000
     53      -0.0717      0.00000
     54      -0.0320      0.00000
     55       0.0434      0.00000
     56       0.0506      0.00000
     57       0.9902      0.00000
     58       1.0175      0.00000
     59       1.0708      0.00000
     60       1.0949      0.00000
     61       2.0570      0.00000
     62       2.0919      0.00000
     63       2.2722      0.00000
     64       2.3733      0.00000
     65       2.6861      0.00000
     66       2.7010      0.00000
     67       3.2553      0.00000
     68       3.2817      0.00000
     69       3.6048      0.00000
     70       3.6443      0.00000
     71       3.8368      0.00000
     72       3.8416      0.00000

 k-point   115 :       0.1250    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3687      1.00000
      2     -36.3673      1.00000
      3     -36.2596      1.00000
      4     -36.2595      1.00000
      5     -23.9397      1.00000
      6     -23.9381      1.00000
      7     -23.9312      1.00000
      8     -23.9292      1.00000
      9     -22.9216      1.00000
     10     -22.9196      1.00000
     11     -22.9020      1.00000
     12     -22.9004      1.00000
     13     -22.8789      1.00000
     14     -22.8781      1.00000
     15     -19.3934      1.00000
     16     -19.3457      1.00000
     17     -19.2374      1.00000
     18     -19.2235      1.00000
     19     -18.3880      1.00000
     20     -18.3453      1.00000
     21     -18.2665      1.00000
     22     -18.1863      1.00000
     23     -18.0989      1.00000
     24     -18.0518      1.00000
     25     -17.9163      1.00000
     26     -17.8934      1.00000
     27     -14.3353      1.00000
     28     -14.3336      1.00000
     29     -14.0930      1.00000
     30     -14.0865      1.00000
     31     -12.8071      1.00000
     32     -12.7854      1.00000
     33      -9.2164      1.00000
     34      -9.2092      1.00000
     35      -6.5074      1.00000
     36      -6.5024      1.00000
     37      -5.3807      1.00000
     38      -5.2069      1.00000
     39      -5.0611      1.00000
     40      -4.8536      1.00000
     41      -3.9071      1.00000
     42      -3.8391      1.00000
     43      -3.6009      1.00000
     44      -3.5439      1.00000
     45      -3.2808      1.00000
     46      -3.2510      1.00000
     47      -2.6188      1.00000
     48      -2.6015      1.00000
     49      -2.5450      1.00000
     50      -2.5269      1.00000
     51      -1.8145      1.00000
     52      -1.7871      1.00000
     53       0.0137      0.00000
     54       0.0507      0.00000
     55       0.2119      0.00000
     56       0.2197      0.00000
     57       1.0023      0.00000
     58       1.0531      0.00000
     59       1.4297      0.00000
     60       1.4624      0.00000
     61       1.9111      0.00000
     62       1.9570      0.00000
     63       2.1156      0.00000
     64       2.2590      0.00000
     65       2.8397      0.00000
     66       2.8894      0.00000
     67       3.2573      0.00000
     68       3.2896      0.00000
     69       3.5243      0.00000
     70       3.5566      0.00000
     71       3.8890      0.00000
     72       3.9180      0.00000

 k-point   116 :       0.1875    0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3675      1.00000
      2     -36.3662      1.00000
      3     -36.2591      1.00000
      4     -36.2590      1.00000
      5     -23.9390      1.00000
      6     -23.9370      1.00000
      7     -23.9324      1.00000
      8     -23.9294      1.00000
      9     -22.9198      1.00000
     10     -22.9172      1.00000
     11     -22.9038      1.00000
     12     -22.9012      1.00000
     13     -22.8800      1.00000
     14     -22.8791      1.00000
     15     -19.3994      1.00000
     16     -19.3318      1.00000
     17     -19.2367      1.00000
     18     -19.2178      1.00000
     19     -18.4051      1.00000
     20     -18.3597      1.00000
     21     -18.2655      1.00000
     22     -18.1788      1.00000
     23     -18.1132      1.00000
     24     -18.0520      1.00000
     25     -17.9433      1.00000
     26     -17.9020      1.00000
     27     -14.2988      1.00000
     28     -14.2962      1.00000
     29     -14.0762      1.00000
     30     -14.0675      1.00000
     31     -12.8029      1.00000
     32     -12.7734      1.00000
     33      -9.2045      1.00000
     34      -9.1942      1.00000
     35      -6.3665      1.00000
     36      -6.3587      1.00000
     37      -5.6590      1.00000
     38      -5.5584      1.00000
     39      -5.1671      1.00000
     40      -5.0508      1.00000
     41      -3.9714      1.00000
     42      -3.8767      1.00000
     43      -3.7132      1.00000
     44      -3.6405      1.00000
     45      -3.2155      1.00000
     46      -3.2028      1.00000
     47      -2.7085      1.00000
     48      -2.7005      1.00000
     49      -2.5599      1.00000
     50      -2.5495      1.00000
     51      -1.5432      0.94014
     52      -1.5153      0.77887
     53       0.0499      0.00000
     54       0.1024      0.00000
     55       0.4387      0.00000
     56       0.4446      0.00000
     57       1.0343      0.00000
     58       1.0809      0.00000
     59       1.6057      0.00000
     60       1.6211      0.00000
     61       1.8138      0.00000
     62       1.8551      0.00000
     63       2.3682      0.00000
     64       2.4545      0.00000
     65       2.8411      0.00000
     66       2.9124      0.00000
     67       3.1762      0.00000
     68       3.1982      0.00000
     69       3.5390      0.00000
     70       3.5780      0.00000
     71       3.9573      0.00000
     72       4.0438      0.00000

 k-point   117 :       0.2500    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3669      1.00000
      2     -36.3655      1.00000
      3     -36.2589      1.00000
      4     -36.2587      1.00000
      5     -23.9384      1.00000
      6     -23.9361      1.00000
      7     -23.9334      1.00000
      8     -23.9296      1.00000
      9     -22.9180      1.00000
     10     -22.9152      1.00000
     11     -22.9056      1.00000
     12     -22.9019      1.00000
     13     -22.8807      1.00000
     14     -22.8800      1.00000
     15     -19.4022      1.00000
     16     -19.3226      1.00000
     17     -19.2351      1.00000
     18     -19.2133      1.00000
     19     -18.4157      1.00000
     20     -18.3731      1.00000
     21     -18.2583      1.00000
     22     -18.1792      1.00000
     23     -18.1195      1.00000
     24     -18.0472      1.00000
     25     -17.9656      1.00000
     26     -17.9074      1.00000
     27     -14.2834      1.00000
     28     -14.2800      1.00000
     29     -14.0624      1.00000
     30     -14.0524      1.00000
     31     -12.8003      1.00000
     32     -12.7665      1.00000
     33      -9.1878      1.00000
     34      -9.1757      1.00000
     35      -6.1980      1.00000
     36      -6.1876      1.00000
     37      -5.8802      1.00000
     38      -5.8264      1.00000
     39      -5.2541      1.00000
     40      -5.2108      1.00000
     41      -4.0685      1.00000
     42      -4.0137      1.00000
     43      -3.6579      1.00000
     44      -3.6198      1.00000
     45      -3.1156      1.00000
     46      -3.1049      1.00000
     47      -2.8227      1.00000
     48      -2.8199      1.00000
     49      -2.5700      1.00000
     50      -2.5626      1.00000
     51      -1.3869      0.00209
     52      -1.3645      0.00023
     53       0.0589      0.00000
     54       0.1232      0.00000
     55       0.6537      0.00000
     56       0.6640      0.00000
     57       1.0050      0.00000
     58       1.0307      0.00000
     59       1.4547      0.00000
     60       1.4818      0.00000
     61       1.9726      0.00000
     62       2.0009      0.00000
     63       2.6079      0.00000
     64       2.6296      0.00000
     65       2.8500      0.00000
     66       2.9095      0.00000
     67       3.0221      0.00000
     68       3.0669      0.00000
     69       3.5152      0.00000
     70       3.5866      0.00000
     71       4.0397      0.00000
     72       4.0763      0.00000

 k-point   118 :       0.3125    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3669      1.00000
      2     -36.3655      1.00000
      3     -36.2589      1.00000
      4     -36.2587      1.00000
      5     -23.9384      1.00000
      6     -23.9361      1.00000
      7     -23.9334      1.00000
      8     -23.9296      1.00000
      9     -22.9180      1.00000
     10     -22.9152      1.00000
     11     -22.9056      1.00000
     12     -22.9019      1.00000
     13     -22.8807      1.00000
     14     -22.8800      1.00000
     15     -19.4022      1.00000
     16     -19.3226      1.00000
     17     -19.2351      1.00000
     18     -19.2133      1.00000
     19     -18.4157      1.00000
     20     -18.3731      1.00000
     21     -18.2582      1.00000
     22     -18.1792      1.00000
     23     -18.1195      1.00000
     24     -18.0472      1.00000
     25     -17.9656      1.00000
     26     -17.9073      1.00000
     27     -14.2834      1.00000
     28     -14.2800      1.00000
     29     -14.0624      1.00000
     30     -14.0524      1.00000
     31     -12.8003      1.00000
     32     -12.7664      1.00000
     33      -9.1878      1.00000
     34      -9.1757      1.00000
     35      -6.1980      1.00000
     36      -6.1876      1.00000
     37      -5.8802      1.00000
     38      -5.8263      1.00000
     39      -5.2541      1.00000
     40      -5.2109      1.00000
     41      -4.0685      1.00000
     42      -4.0137      1.00000
     43      -3.6579      1.00000
     44      -3.6198      1.00000
     45      -3.1155      1.00000
     46      -3.1050      1.00000
     47      -2.8219      1.00000
     48      -2.8209      1.00000
     49      -2.5698      1.00000
     50      -2.5628      1.00000
     51      -1.3869      0.00209
     52      -1.3645      0.00023
     53       0.0583      0.00000
     54       0.1238      0.00000
     55       0.6541      0.00000
     56       0.6637      0.00000
     57       1.0080      0.00000
     58       1.0278      0.00000
     59       1.4547      0.00000
     60       1.4817      0.00000
     61       1.9750      0.00000
     62       1.9982      0.00000
     63       2.6046      0.00000
     64       2.6333      0.00000
     65       2.8482      0.00000
     66       2.9129      0.00000
     67       3.0153      0.00000
     68       3.0721      0.00000
     69       3.5188      0.00000
     70       3.5825      0.00000
     71       4.0411      0.00000
     72       4.0753      0.00000

 k-point   119 :       0.3750    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3675      1.00000
      2     -36.3662      1.00000
      3     -36.2591      1.00000
      4     -36.2590      1.00000
      5     -23.9390      1.00000
      6     -23.9370      1.00000
      7     -23.9324      1.00000
      8     -23.9294      1.00000
      9     -22.9198      1.00000
     10     -22.9172      1.00000
     11     -22.9038      1.00000
     12     -22.9012      1.00000
     13     -22.8799      1.00000
     14     -22.8792      1.00000
     15     -19.3995      1.00000
     16     -19.3317      1.00000
     17     -19.2367      1.00000
     18     -19.2178      1.00000
     19     -18.4052      1.00000
     20     -18.3596      1.00000
     21     -18.2654      1.00000
     22     -18.1789      1.00000
     23     -18.1132      1.00000
     24     -18.0520      1.00000
     25     -17.9433      1.00000
     26     -17.9019      1.00000
     27     -14.2988      1.00000
     28     -14.2962      1.00000
     29     -14.0762      1.00000
     30     -14.0675      1.00000
     31     -12.8030      1.00000
     32     -12.7733      1.00000
     33      -9.2045      1.00000
     34      -9.1942      1.00000
     35      -6.3665      1.00000
     36      -6.3587      1.00000
     37      -5.6590      1.00000
     38      -5.5584      1.00000
     39      -5.1671      1.00000
     40      -5.0508      1.00000
     41      -3.9713      1.00000
     42      -3.8767      1.00000
     43      -3.7132      1.00000
     44      -3.6405      1.00000
     45      -3.2147      1.00000
     46      -3.2035      1.00000
     47      -2.7087      1.00000
     48      -2.7003      1.00000
     49      -2.5596      1.00000
     50      -2.5498      1.00000
     51      -1.5432      0.94021
     52      -1.5153      0.77870
     53       0.0490      0.00000
     54       0.1032      0.00000
     55       0.4381      0.00000
     56       0.4453      0.00000
     57       1.0479      0.00000
     58       1.0673      0.00000
     59       1.6059      0.00000
     60       1.6211      0.00000
     61       1.8157      0.00000
     62       1.8530      0.00000
     63       2.3644      0.00000
     64       2.4593      0.00000
     65       2.8336      0.00000
     66       2.9193      0.00000
     67       3.1765      0.00000
     68       3.1977      0.00000
     69       3.5420      0.00000
     70       3.5750      0.00000
     71       3.9615      0.00000
     72       3.9966      0.00000

 k-point   120 :       0.4375    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3687      1.00000
      2     -36.3673      1.00000
      3     -36.2596      1.00000
      4     -36.2595      1.00000
      5     -23.9397      1.00000
      6     -23.9381      1.00000
      7     -23.9312      1.00000
      8     -23.9293      1.00000
      9     -22.9216      1.00000
     10     -22.9196      1.00000
     11     -22.9020      1.00000
     12     -22.9004      1.00000
     13     -22.8788      1.00000
     14     -22.8781      1.00000
     15     -19.3936      1.00000
     16     -19.3455      1.00000
     17     -19.2374      1.00000
     18     -19.2235      1.00000
     19     -18.3880      1.00000
     20     -18.3454      1.00000
     21     -18.2663      1.00000
     22     -18.1865      1.00000
     23     -18.0988      1.00000
     24     -18.0519      1.00000
     25     -17.9164      1.00000
     26     -17.8933      1.00000
     27     -14.3352      1.00000
     28     -14.3336      1.00000
     29     -14.0930      1.00000
     30     -14.0866      1.00000
     31     -12.8073      1.00000
     32     -12.7852      1.00000
     33      -9.2164      1.00000
     34      -9.2092      1.00000
     35      -6.5073      1.00000
     36      -6.5024      1.00000
     37      -5.3807      1.00000
     38      -5.2069      1.00000
     39      -5.0611      1.00000
     40      -4.8537      1.00000
     41      -3.9069      1.00000
     42      -3.8393      1.00000
     43      -3.6009      1.00000
     44      -3.5438      1.00000
     45      -3.2801      1.00000
     46      -3.2517      1.00000
     47      -2.6192      1.00000
     48      -2.6011      1.00000
     49      -2.5446      1.00000
     50      -2.5273      1.00000
     51      -1.8145      1.00000
     52      -1.7871      1.00000
     53       0.0166      0.00000
     54       0.0479      0.00000
     55       0.2110      0.00000
     56       0.2206      0.00000
     57       1.0126      0.00000
     58       1.0425      0.00000
     59       1.4307      0.00000
     60       1.4614      0.00000
     61       1.9118      0.00000
     62       1.9572      0.00000
     63       2.1127      0.00000
     64       2.2611      0.00000
     65       2.8353      0.00000
     66       2.8933      0.00000
     67       3.2606      0.00000
     68       3.2865      0.00000
     69       3.5270      0.00000
     70       3.5543      0.00000
     71       3.8916      0.00000
     72       3.9134      0.00000

 k-point   121 :       0.5000    0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9399      1.00000
      6     -23.9389      1.00000
      7     -23.9303      1.00000
      8     -23.9294      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9008      1.00000
     12     -22.9002      1.00000
     13     -22.8780      1.00000
     14     -22.8775      1.00000
     15     -19.3867      1.00000
     16     -19.3553      1.00000
     17     -19.2360      1.00000
     18     -19.2248      1.00000
     19     -18.3725      1.00000
     20     -18.3410      1.00000
     21     -18.2489      1.00000
     22     -18.2017      1.00000
     23     -18.0778      1.00000
     24     -18.0522      1.00000
     25     -17.8951      1.00000
     26     -17.8857      1.00000
     27     -14.3941      1.00000
     28     -14.3920      1.00000
     29     -14.1027      1.00000
     30     -14.0987      1.00000
     31     -12.8118      1.00000
     32     -12.7990      1.00000
     33      -9.2002      1.00000
     34      -9.1961      1.00000
     35      -6.5701      1.00000
     36      -6.5673      1.00000
     37      -5.1825      1.00000
     38      -5.0869      1.00000
     39      -4.7681      1.00000
     40      -4.6421      1.00000
     41      -3.9259      1.00000
     42      -3.8994      1.00000
     43      -3.4084      1.00000
     44      -3.3586      1.00000
     45      -3.2751      1.00000
     46      -3.2187      1.00000
     47      -2.5720      1.00000
     48      -2.5544      1.00000
     49      -2.5245      1.00000
     50      -2.5049      1.00000
     51      -2.0922      1.00000
     52      -2.0759      1.00000
     53      -0.0584      0.00000
     54      -0.0452      0.00000
     55       0.0433      0.00000
     56       0.0505      0.00000
     57       0.9932      0.00000
     58       1.0124      0.00000
     59       1.0723      0.00000
     60       1.0954      0.00000
     61       2.0585      0.00000
     62       2.0903      0.00000
     63       2.2721      0.00000
     64       2.3736      0.00000
     65       2.6843      0.00000
     66       2.7025      0.00000
     67       3.2601      0.00000
     68       3.2772      0.00000
     69       3.6119      0.00000
     70       3.6368      0.00000
     71       3.8290      0.00000
     72       3.8495      0.00000

 k-point   122 :      -0.4375    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3719      1.00000
      2     -36.3706      1.00000
      3     -36.2610      1.00000
      4     -36.2608      1.00000
      5     -23.9399      1.00000
      6     -23.9391      1.00000
      7     -23.9299      1.00000
      8     -23.9298      1.00000
      9     -22.9225      1.00000
     10     -22.9213      1.00000
     11     -22.9004      1.00000
     12     -22.9003      1.00000
     13     -22.8782      1.00000
     14     -22.8778      1.00000
     15     -19.3865      1.00000
     16     -19.3495      1.00000
     17     -19.2333      1.00000
     18     -19.2173      1.00000
     19     -18.3713      1.00000
     20     -18.3316      1.00000
     21     -18.2295      1.00000
     22     -18.2109      1.00000
     23     -18.0622      1.00000
     24     -18.0532      1.00000
     25     -17.8844      1.00000
     26     -17.8835      1.00000
     27     -14.4649      1.00000
     28     -14.4611      1.00000
     29     -14.1059      1.00000
     30     -14.1013      1.00000
     31     -12.8174      1.00000
     32     -12.8087      1.00000
     33      -9.1468      1.00000
     34      -9.1436      1.00000
     35      -6.5416      1.00000
     36      -6.5388      1.00000
     37      -5.1183      1.00000
     38      -5.0962      1.00000
     39      -4.5427      1.00000
     40      -4.5393      1.00000
     41      -3.9217      1.00000
     42      -3.9016      1.00000
     43      -3.3662      1.00000
     44      -3.3446      1.00000
     45      -3.1714      1.00000
     46      -3.1684      1.00000
     47      -2.5815      1.00000
     48      -2.5744      1.00000
     49      -2.4987      1.00000
     50      -2.4974      1.00000
     51      -2.1811      1.00000
     52      -2.1764      1.00000
     53      -0.1929      0.00000
     54      -0.1789      0.00000
     55       0.0082      0.00000
     56       0.0097      0.00000
     57       0.8668      0.00000
     58       0.8831      0.00000
     59       1.1061      0.00000
     60       1.1655      0.00000
     61       2.1174      0.00000
     62       2.1203      0.00000
     63       2.4382      0.00000
     64       2.4426      0.00000
     65       2.6334      0.00000
     66       2.6402      0.00000
     67       3.1520      0.00000
     68       3.1662      0.00000
     69       3.5817      0.00000
     70       3.5960      0.00000
     71       3.7575      0.00000
     72       3.7719      0.00000

 k-point   123 :      -0.3750    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3735      1.00000
      2     -36.3722      1.00000
      3     -36.2616      1.00000
      4     -36.2614      1.00000
      5     -23.9398      1.00000
      6     -23.9384      1.00000
      7     -23.9307      1.00000
      8     -23.9298      1.00000
      9     -22.9218      1.00000
     10     -22.9197      1.00000
     11     -22.9009      1.00000
     12     -22.9003      1.00000
     13     -22.8794      1.00000
     14     -22.8788      1.00000
     15     -19.3898      1.00000
     16     -19.3333      1.00000
     17     -19.2270      1.00000
     18     -19.2041      1.00000
     19     -18.3785      1.00000
     20     -18.3172      1.00000
     21     -18.2413      1.00000
     22     -18.1893      1.00000
     23     -18.0665      1.00000
     24     -18.0429      1.00000
     25     -17.8902      1.00000
     26     -17.8829      1.00000
     27     -14.5323      1.00000
     28     -14.5269      1.00000
     29     -14.1058      1.00000
     30     -14.0984      1.00000
     31     -12.8255      1.00000
     32     -12.8099      1.00000
     33      -9.0644      1.00000
     34      -9.0592      1.00000
     35      -6.4267      1.00000
     36      -6.4220      1.00000
     37      -5.1767      1.00000
     38      -5.0957      1.00000
     39      -4.6771      1.00000
     40      -4.5715      1.00000
     41      -3.8996      1.00000
     42      -3.8579      1.00000
     43      -3.4042      1.00000
     44      -3.3304      1.00000
     45      -3.2595      1.00000
     46      -3.1873      1.00000
     47      -2.6426      1.00000
     48      -2.6321      1.00000
     49      -2.5321      1.00000
     50      -2.5242      1.00000
     51      -1.9628      1.00000
     52      -1.9458      1.00000
     53      -0.3184      0.00000
     54      -0.2971      0.00000
     55       0.1030      0.00000
     56       0.1057      0.00000
     57       1.0213      0.00000
     58       1.0500      0.00000
     59       1.2215      0.00000
     60       1.2786      0.00000
     61       2.0824      0.00000
     62       2.1159      0.00000
     63       2.3032      0.00000
     64       2.3921      0.00000
     65       2.6960      0.00000
     66       2.7180      0.00000
     67       3.0147      0.00000
     68       3.0304      0.00000
     69       3.4518      0.00000
     70       3.4803      0.00000
     71       3.6974      0.00000
     72       3.7064      0.00000

 k-point   124 :      -0.3125    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3747      1.00000
      2     -36.3734      1.00000
      3     -36.2621      1.00000
      4     -36.2619      1.00000
      5     -23.9396      1.00000
      6     -23.9371      1.00000
      7     -23.9317      1.00000
      8     -23.9300      1.00000
      9     -22.9206      1.00000
     10     -22.9172      1.00000
     11     -22.9016      1.00000
     12     -22.9007      1.00000
     13     -22.8811      1.00000
     14     -22.8804      1.00000
     15     -19.3913      1.00000
     16     -19.3180      1.00000
     17     -19.2180      1.00000
     18     -19.1906      1.00000
     19     -18.3846      1.00000
     20     -18.3053      1.00000
     21     -18.2573      1.00000
     22     -18.1707      1.00000
     23     -18.0672      1.00000
     24     -18.0377      1.00000
     25     -17.9026      1.00000
     26     -17.8880      1.00000
     27     -14.5841      1.00000
     28     -14.5774      1.00000
     29     -14.1044      1.00000
     30     -14.0946      1.00000
     31     -12.8312      1.00000
     32     -12.8080      1.00000
     33      -8.9768      1.00000
     34      -8.9697      1.00000
     35      -6.2420      1.00000
     36      -6.2346      1.00000
     37      -5.3446      1.00000
     38      -5.2474      1.00000
     39      -4.7750      1.00000
     40      -4.6444      1.00000
     41      -3.9440      1.00000
     42      -3.8693      1.00000
     43      -3.5219      1.00000
     44      -3.4381      1.00000
     45      -3.2548      1.00000
     46      -3.2055      1.00000
     47      -2.7485      1.00000
     48      -2.7395      1.00000
     49      -2.5557      1.00000
     50      -2.5517      1.00000
     51      -1.5882      0.99767
     52      -1.5611      0.98048
     53      -0.3955      0.00000
     54      -0.3662      0.00000
     55       0.2758      0.00000
     56       0.2787      0.00000
     57       1.2001      0.00000
     58       1.2336      0.00000
     59       1.4443      0.00000
     60       1.4890      0.00000
     61       1.8799      0.00000
     62       1.9333      0.00000
     63       2.3123      0.00000
     64       2.3698      0.00000
     65       2.6941      0.00000
     66       2.7286      0.00000
     67       3.0618      0.00000
     68       3.0688      0.00000
     69       3.2447      0.00000
     70       3.2716      0.00000
     71       3.6770      0.00000
     72       3.6898      0.00000

 k-point   125 :      -0.2500    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3754      1.00000
      2     -36.3740      1.00000
      3     -36.2623      1.00000
      4     -36.2621      1.00000
      5     -23.9393      1.00000
      6     -23.9360      1.00000
      7     -23.9327      1.00000
      8     -23.9303      1.00000
      9     -22.9195      1.00000
     10     -22.9153      1.00000
     11     -22.9022      1.00000
     12     -22.9011      1.00000
     13     -22.8822      1.00000
     14     -22.8816      1.00000
     15     -19.3914      1.00000
     16     -19.3093      1.00000
     17     -19.2111      1.00000
     18     -19.1820      1.00000
     19     -18.3877      1.00000
     20     -18.2956      1.00000
     21     -18.2716      1.00000
     22     -18.1615      1.00000
     23     -18.0629      1.00000
     24     -18.0366      1.00000
     25     -17.9136      1.00000
     26     -17.8929      1.00000
     27     -14.6120      1.00000
     28     -14.6046      1.00000
     29     -14.1034      1.00000
     30     -14.0921      1.00000
     31     -12.8337      1.00000
     32     -12.8062      1.00000
     33      -8.9191      1.00000
     34      -8.9110      1.00000
     35      -6.0259      1.00000
     36      -6.0160      1.00000
     37      -5.5958      1.00000
     38      -5.5342      1.00000
     39      -4.6797      1.00000
     40      -4.6080      1.00000
     41      -4.0882      1.00000
     42      -4.0327      1.00000
     43      -3.5524      1.00000
     44      -3.4842      1.00000
     45      -3.2032      1.00000
     46      -3.1824      1.00000
     47      -2.8478      1.00000
     48      -2.8377      1.00000
     49      -2.5668      1.00000
     50      -2.5601      1.00000
     51      -1.3088      0.00000
     52      -1.2783      0.00000
     53      -0.4294      0.00000
     54      -0.3932      0.00000
     55       0.4601      0.00000
     56       0.4685      0.00000
     57       1.0597      0.00000
     58       1.1197      0.00000
     59       1.5875      0.00000
     60       1.6802      0.00000
     61       1.9052      0.00000
     62       1.9863      0.00000
     63       2.4191      0.00000
     64       2.4398      0.00000
     65       2.6119      0.00000
     66       2.6176      0.00000
     67       2.9847      0.00000
     68       3.0052      0.00000
     69       3.2760      0.00000
     70       3.3211      0.00000
     71       3.5878      0.00000
     72       3.6135      0.00000

 k-point   126 :      -0.1875    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3754      1.00000
      2     -36.3740      1.00000
      3     -36.2623      1.00000
      4     -36.2621      1.00000
      5     -23.9393      1.00000
      6     -23.9360      1.00000
      7     -23.9327      1.00000
      8     -23.9303      1.00000
      9     -22.9195      1.00000
     10     -22.9153      1.00000
     11     -22.9022      1.00000
     12     -22.9011      1.00000
     13     -22.8822      1.00000
     14     -22.8816      1.00000
     15     -19.3914      1.00000
     16     -19.3093      1.00000
     17     -19.2111      1.00000
     18     -19.1820      1.00000
     19     -18.3877      1.00000
     20     -18.2955      1.00000
     21     -18.2716      1.00000
     22     -18.1615      1.00000
     23     -18.0629      1.00000
     24     -18.0366      1.00000
     25     -17.9136      1.00000
     26     -17.8929      1.00000
     27     -14.6120      1.00000
     28     -14.6046      1.00000
     29     -14.1034      1.00000
     30     -14.0921      1.00000
     31     -12.8337      1.00000
     32     -12.8062      1.00000
     33      -8.9191      1.00000
     34      -8.9110      1.00000
     35      -6.0258      1.00000
     36      -6.0160      1.00000
     37      -5.5958      1.00000
     38      -5.5342      1.00000
     39      -4.6796      1.00000
     40      -4.6081      1.00000
     41      -4.0882      1.00000
     42      -4.0327      1.00000
     43      -3.5524      1.00000
     44      -3.4842      1.00000
     45      -3.2021      1.00000
     46      -3.1834      1.00000
     47      -2.8484      1.00000
     48      -2.8371      1.00000
     49      -2.5669      1.00000
     50      -2.5600      1.00000
     51      -1.3088      0.00000
     52      -1.2783      0.00000
     53      -0.4319      0.00000
     54      -0.3906      0.00000
     55       0.4600      0.00000
     56       0.4687      0.00000
     57       1.0598      0.00000
     58       1.1197      0.00000
     59       1.5882      0.00000
     60       1.6794      0.00000
     61       1.9019      0.00000
     62       1.9904      0.00000
     63       2.4105      0.00000
     64       2.4484      0.00000
     65       2.6063      0.00000
     66       2.6223      0.00000
     67       2.9836      0.00000
     68       3.0063      0.00000
     69       3.2771      0.00000
     70       3.3204      0.00000
     71       3.5877      0.00000
     72       3.6133      0.00000

 k-point   127 :      -0.1250    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3747      1.00000
      2     -36.3734      1.00000
      3     -36.2621      1.00000
      4     -36.2619      1.00000
      5     -23.9395      1.00000
      6     -23.9371      1.00000
      7     -23.9317      1.00000
      8     -23.9301      1.00000
      9     -22.9206      1.00000
     10     -22.9172      1.00000
     11     -22.9016      1.00000
     12     -22.9007      1.00000
     13     -22.8811      1.00000
     14     -22.8804      1.00000
     15     -19.3912      1.00000
     16     -19.3181      1.00000
     17     -19.2180      1.00000
     18     -19.1906      1.00000
     19     -18.3848      1.00000
     20     -18.3050      1.00000
     21     -18.2572      1.00000
     22     -18.1708      1.00000
     23     -18.0672      1.00000
     24     -18.0377      1.00000
     25     -17.9027      1.00000
     26     -17.8879      1.00000
     27     -14.5841      1.00000
     28     -14.5774      1.00000
     29     -14.1044      1.00000
     30     -14.0946      1.00000
     31     -12.8311      1.00000
     32     -12.8081      1.00000
     33      -8.9768      1.00000
     34      -8.9697      1.00000
     35      -6.2420      1.00000
     36      -6.2346      1.00000
     37      -5.3446      1.00000
     38      -5.2474      1.00000
     39      -4.7749      1.00000
     40      -4.6444      1.00000
     41      -3.9439      1.00000
     42      -3.8694      1.00000
     43      -3.5222      1.00000
     44      -3.4379      1.00000
     45      -3.2536      1.00000
     46      -3.2066      1.00000
     47      -2.7500      1.00000
     48      -2.7381      1.00000
     49      -2.5562      1.00000
     50      -2.5512      1.00000
     51      -1.5882      0.99767
     52      -1.5611      0.98047
     53      -0.4034      0.00000
     54      -0.3581      0.00000
     55       0.2752      0.00000
     56       0.2794      0.00000
     57       1.2037      0.00000
     58       1.2306      0.00000
     59       1.4453      0.00000
     60       1.4870      0.00000
     61       1.8781      0.00000
     62       1.9364      0.00000
     63       2.3053      0.00000
     64       2.3768      0.00000
     65       2.6862      0.00000
     66       2.7358      0.00000
     67       3.0556      0.00000
     68       3.0742      0.00000
     69       3.2500      0.00000
     70       3.2666      0.00000
     71       3.6793      0.00000
     72       3.6874      0.00000

 k-point   128 :      -0.0625    0.4375   -0.0000
  band No.  band energies     occupation 
      1     -36.3735      1.00000
      2     -36.3722      1.00000
      3     -36.2616      1.00000
      4     -36.2614      1.00000
      5     -23.9398      1.00000
      6     -23.9384      1.00000
      7     -23.9307      1.00000
      8     -23.9298      1.00000
      9     -22.9218      1.00000
     10     -22.9196      1.00000
     11     -22.9009      1.00000
     12     -22.9003      1.00000
     13     -22.8794      1.00000
     14     -22.8789      1.00000
     15     -19.3896      1.00000
     16     -19.3335      1.00000
     17     -19.2271      1.00000
     18     -19.2041      1.00000
     19     -18.3788      1.00000
     20     -18.3169      1.00000
     21     -18.2412      1.00000
     22     -18.1895      1.00000
     23     -18.0664      1.00000
     24     -18.0429      1.00000
     25     -17.8903      1.00000
     26     -17.8828      1.00000
     27     -14.5324      1.00000
     28     -14.5269      1.00000
     29     -14.1058      1.00000
     30     -14.0984      1.00000
     31     -12.8252      1.00000
     32     -12.8102      1.00000
     33      -9.0644      1.00000
     34      -9.0592      1.00000
     35      -6.4267      1.00000
     36      -6.4220      1.00000
     37      -5.1767      1.00000
     38      -5.0957      1.00000
     39      -4.6770      1.00000
     40      -4.5715      1.00000
     41      -3.8993      1.00000
     42      -3.8582      1.00000
     43      -3.4047      1.00000
     44      -3.3296      1.00000
     45      -3.2594      1.00000
     46      -3.1877      1.00000
     47      -2.6440      1.00000
     48      -2.6308      1.00000
     49      -2.5324      1.00000
     50      -2.5240      1.00000
     51      -1.9628      1.00000
     52      -1.9458      1.00000
     53      -0.3314      0.00000
     54      -0.2839      0.00000
     55       0.1025      0.00000
     56       0.1063      0.00000
     57       1.0212      0.00000
     58       1.0508      0.00000
     59       1.2277      0.00000
     60       1.2716      0.00000
     61       2.0839      0.00000
     62       2.1151      0.00000
     63       2.3009      0.00000
     64       2.3942      0.00000
     65       2.6915      0.00000
     66       2.7221      0.00000
     67       3.0153      0.00000
     68       3.0294      0.00000
     69       3.4599      0.00000
     70       3.4724      0.00000
     71       3.6928      0.00000
     72       3.7110      0.00000

 k-point   129 :      -0.0000    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9397      1.00000
      6     -23.9397      1.00000
      7     -23.9297      1.00000
      8     -23.9296      1.00000
      9     -22.9226      1.00000
     10     -22.9226      1.00000
     11     -22.9003      1.00000
     12     -22.9002      1.00000
     13     -22.8773      1.00000
     14     -22.8772      1.00000
     15     -19.3738      1.00000
     16     -19.3732      1.00000
     17     -19.2329      1.00000
     18     -19.2329      1.00000
     19     -18.3561      1.00000
     20     -18.3555      1.00000
     21     -18.2258      1.00000
     22     -18.2255      1.00000
     23     -18.0626      1.00000
     24     -18.0622      1.00000
     25     -17.8859      1.00000
     26     -17.8856      1.00000
     27     -14.3858      1.00000
     28     -14.3856      1.00000
     29     -14.1087      1.00000
     30     -14.1085      1.00000
     31     -12.8075      1.00000
     32     -12.8059      1.00000
     33      -9.2188      1.00000
     34      -9.2186      1.00000
     35      -6.6152      1.00000
     36      -6.6150      1.00000
     37      -5.1012      1.00000
     38      -5.1011      1.00000
     39      -4.5738      1.00000
     40      -4.5737      1.00000
     41      -3.9412      1.00000
     42      -3.9407      1.00000
     43      -3.3592      1.00000
     44      -3.3584      1.00000
     45      -3.1817      1.00000
     46      -3.1817      1.00000
     47      -2.5413      1.00000
     48      -2.5399      1.00000
     49      -2.4875      1.00000
     50      -2.4868      1.00000
     51      -2.2494      1.00000
     52      -2.2492      1.00000
     53      -0.0527      0.00000
     54      -0.0390      0.00000
     55      -0.0152      0.00000
     56       0.0039      0.00000
     57       0.8801      0.00000
     58       0.8804      0.00000
     59       0.9723      0.00000
     60       1.0078      0.00000
     61       2.0944      0.00000
     62       2.0964      0.00000
     63       2.4419      0.00000
     64       2.4420      0.00000
     65       2.6088      0.00000
     66       2.6107      0.00000
     67       3.2965      0.00000
     68       3.3088      0.00000
     69       3.7306      0.00000
     70       3.7610      0.00000
     71       3.8670      0.00000
     72       3.8744      0.00000

 k-point   130 :       0.0625    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9399      1.00000
      6     -23.9389      1.00000
      7     -23.9303      1.00000
      8     -23.9294      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9009      1.00000
     12     -22.9001      1.00000
     13     -22.8780      1.00000
     14     -22.8775      1.00000
     15     -19.3863      1.00000
     16     -19.3557      1.00000
     17     -19.2361      1.00000
     18     -19.2248      1.00000
     19     -18.3729      1.00000
     20     -18.3405      1.00000
     21     -18.2492      1.00000
     22     -18.2016      1.00000
     23     -18.0779      1.00000
     24     -18.0520      1.00000
     25     -17.8950      1.00000
     26     -17.8858      1.00000
     27     -14.3942      1.00000
     28     -14.3919      1.00000
     29     -14.1028      1.00000
     30     -14.0986      1.00000
     31     -12.8115      1.00000
     32     -12.7994      1.00000
     33      -9.2002      1.00000
     34      -9.1962      1.00000
     35      -6.5702      1.00000
     36      -6.5673      1.00000
     37      -5.1825      1.00000
     38      -5.0869      1.00000
     39      -4.7681      1.00000
     40      -4.6420      1.00000
     41      -3.9261      1.00000
     42      -3.8992      1.00000
     43      -3.4079      1.00000
     44      -3.3590      1.00000
     45      -3.2754      1.00000
     46      -3.2183      1.00000
     47      -2.5717      1.00000
     48      -2.5546      1.00000
     49      -2.5247      1.00000
     50      -2.5046      1.00000
     51      -2.0922      1.00000
     52      -2.0760      1.00000
     53      -0.0739      0.00000
     54      -0.0299      0.00000
     55       0.0435      0.00000
     56       0.0506      0.00000
     57       0.9908      0.00000
     58       1.0178      0.00000
     59       1.0710      0.00000
     60       1.0937      0.00000
     61       2.0570      0.00000
     62       2.0919      0.00000
     63       2.2722      0.00000
     64       2.3734      0.00000
     65       2.6860      0.00000
     66       2.7010      0.00000
     67       3.2552      0.00000
     68       3.2818      0.00000
     69       3.6047      0.00000
     70       3.6443      0.00000
     71       3.8355      0.00000
     72       3.8429      0.00000

 k-point   131 :       0.1250    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9397      1.00000
      6     -23.9378      1.00000
      7     -23.9314      1.00000
      8     -23.9295      1.00000
      9     -22.9214      1.00000
     10     -22.9189      1.00000
     11     -22.9019      1.00000
     12     -22.9005      1.00000
     13     -22.8794      1.00000
     14     -22.8787      1.00000
     15     -19.3936      1.00000
     16     -19.3364      1.00000
     17     -19.2345      1.00000
     18     -19.2139      1.00000
     19     -18.3879      1.00000
     20     -18.3332      1.00000
     21     -18.2651      1.00000
     22     -18.1828      1.00000
     23     -18.0902      1.00000
     24     -18.0489      1.00000
     25     -17.9126      1.00000
     26     -17.8919      1.00000
     27     -14.4115      1.00000
     28     -14.4073      1.00000
     29     -14.0868      1.00000
     30     -14.0793      1.00000
     31     -12.8134      1.00000
     32     -12.7912      1.00000
     33      -9.1504      1.00000
     34      -9.1430      1.00000
     35      -6.4409      1.00000
     36      -6.4352      1.00000
     37      -5.3707      1.00000
     38      -5.2293      1.00000
     39      -4.9799      1.00000
     40      -4.8049      1.00000
     41      -3.9276      1.00000
     42      -3.8598      1.00000
     43      -3.5637      1.00000
     44      -3.4971      1.00000
     45      -3.2794      1.00000
     46      -3.2393      1.00000
     47      -2.6535      1.00000
     48      -2.6440      1.00000
     49      -2.5456      1.00000
     50      -2.5352      1.00000
     51      -1.7536      1.00000
     52      -1.7263      1.00000
     53      -0.1194      0.00000
     54      -0.0576      0.00000
     55       0.2134      0.00000
     56       0.2164      0.00000
     57       1.0812      0.00000
     58       1.1245      0.00000
     59       1.4368      0.00000
     60       1.4710      0.00000
     61       1.8961      0.00000
     62       1.9369      0.00000
     63       2.1973      0.00000
     64       2.3068      0.00000
     65       2.8127      0.00000
     66       2.8589      0.00000
     67       3.2297      0.00000
     68       3.2583      0.00000
     69       3.4042      0.00000
     70       3.4368      0.00000
     71       3.7885      0.00000
     72       3.8033      0.00000

 k-point   132 :       0.1875    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2601      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9325      1.00000
      8     -23.9298      1.00000
      9     -22.9198      1.00000
     10     -22.9165      1.00000
     11     -22.9032      1.00000
     12     -22.9011      1.00000
     13     -22.8808      1.00000
     14     -22.8800      1.00000
     15     -19.3967      1.00000
     16     -19.3214      1.00000
     17     -19.2308      1.00000
     18     -19.2045      1.00000
     19     -18.3984      1.00000
     20     -18.3360      1.00000
     21     -18.2702      1.00000
     22     -18.1732      1.00000
     23     -18.0939      1.00000
     24     -18.0487      1.00000
     25     -17.9319      1.00000
     26     -17.8987      1.00000
     27     -14.4269      1.00000
     28     -14.4215      1.00000
     29     -14.0719      1.00000
     30     -14.0622      1.00000
     31     -12.8136      1.00000
     32     -12.7848      1.00000
     33      -9.0969      1.00000
     34      -9.0873      1.00000
     35      -6.2544      1.00000
     36      -6.2457      1.00000
     37      -5.6400      1.00000
     38      -5.5622      1.00000
     39      -4.9822      1.00000
     40      -4.8893      1.00000
     41      -4.0626      1.00000
     42      -3.9971      1.00000
     43      -3.5970      1.00000
     44      -3.5407      1.00000
     45      -3.2062      1.00000
     46      -3.1867      1.00000
     47      -2.7729      1.00000
     48      -2.7708      1.00000
     49      -2.5569      1.00000
     50      -2.5506      1.00000
     51      -1.4500      0.14001
     52      -1.4207      0.02816
     53      -0.1505      0.00000
     54      -0.0782      0.00000
     55       0.4329      0.00000
     56       0.4389      0.00000
     57       1.0556      0.00000
     58       1.0954      0.00000
     59       1.5552      0.00000
     60       1.6060      0.00000
     61       1.9057      0.00000
     62       1.9540      0.00000
     63       2.4330      0.00000
     64       2.4868      0.00000
     65       2.7489      0.00000
     66       2.8016      0.00000
     67       3.1735      0.00000
     68       3.2051      0.00000
     69       3.3955      0.00000
     70       3.4245      0.00000
     71       3.7768      0.00000
     72       3.8099      0.00000

 k-point   133 :       0.2500    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2600      1.00000
      5     -23.9389      1.00000
      6     -23.9358      1.00000
      7     -23.9331      1.00000
      8     -23.9299      1.00000
      9     -22.9190      1.00000
     10     -22.9153      1.00000
     11     -22.9039      1.00000
     12     -22.9015      1.00000
     13     -22.8813      1.00000
     14     -22.8806      1.00000
     15     -19.3974      1.00000
     16     -19.3158      1.00000
     17     -19.2289      1.00000
     18     -19.2007      1.00000
     19     -18.4022      1.00000
     20     -18.3391      1.00000
     21     -18.2706      1.00000
     22     -18.1706      1.00000
     23     -18.0939      1.00000
     24     -18.0480      1.00000
     25     -17.9411      1.00000
     26     -17.9015      1.00000
     27     -14.4329      1.00000
     28     -14.4270      1.00000
     29     -14.0659      1.00000
     30     -14.0555      1.00000
     31     -12.8135      1.00000
     32     -12.7823      1.00000
     33      -9.0737      1.00000
     34      -9.0632      1.00000
     35      -6.1107      1.00000
     36      -6.1035      1.00000
     37      -5.8163      1.00000
     38      -5.7649      1.00000
     39      -4.9526      1.00000
     40      -4.9206      1.00000
     41      -4.1473      1.00000
     42      -4.1035      1.00000
     43      -3.5785      1.00000
     44      -3.5320      1.00000
     45      -3.1426      1.00000
     46      -3.1308      1.00000
     47      -2.8536      1.00000
     48      -2.8503      1.00000
     49      -2.5614      1.00000
     50      -2.5549      1.00000
     51      -1.3294      0.00000
     52      -1.3012      0.00000
     53      -0.1612      0.00000
     54      -0.0840      0.00000
     55       0.5790      0.00000
     56       0.5872      0.00000
     57       0.9538      0.00000
     58       1.0097      0.00000
     59       1.4809      0.00000
     60       1.5331      0.00000
     61       2.0621      0.00000
     62       2.0955      0.00000
     63       2.5495      0.00000
     64       2.5947      0.00000
     65       2.7346      0.00000
     66       2.7996      0.00000
     67       3.0901      0.00000
     68       3.1253      0.00000
     69       3.3736      0.00000
     70       3.4061      0.00000
     71       3.7367      0.00000
     72       3.7595      0.00000

 k-point   134 :       0.3125    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2601      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9325      1.00000
      8     -23.9298      1.00000
      9     -22.9198      1.00000
     10     -22.9165      1.00000
     11     -22.9032      1.00000
     12     -22.9011      1.00000
     13     -22.8807      1.00000
     14     -22.8800      1.00000
     15     -19.3967      1.00000
     16     -19.3214      1.00000
     17     -19.2308      1.00000
     18     -19.2044      1.00000
     19     -18.3985      1.00000
     20     -18.3359      1.00000
     21     -18.2701      1.00000
     22     -18.1733      1.00000
     23     -18.0938      1.00000
     24     -18.0487      1.00000
     25     -17.9319      1.00000
     26     -17.8987      1.00000
     27     -14.4269      1.00000
     28     -14.4214      1.00000
     29     -14.0719      1.00000
     30     -14.0622      1.00000
     31     -12.8136      1.00000
     32     -12.7848      1.00000
     33      -9.0969      1.00000
     34      -9.0873      1.00000
     35      -6.2543      1.00000
     36      -6.2458      1.00000
     37      -5.6400      1.00000
     38      -5.5622      1.00000
     39      -4.9822      1.00000
     40      -4.8893      1.00000
     41      -4.0626      1.00000
     42      -3.9971      1.00000
     43      -3.5971      1.00000
     44      -3.5407      1.00000
     45      -3.2052      1.00000
     46      -3.1876      1.00000
     47      -2.7744      1.00000
     48      -2.7694      1.00000
     49      -2.5570      1.00000
     50      -2.5506      1.00000
     51      -1.4500      0.14009
     52      -1.4206      0.02813
     53      -0.1529      0.00000
     54      -0.0758      0.00000
     55       0.4329      0.00000
     56       0.4391      0.00000
     57       1.0590      0.00000
     58       1.0922      0.00000
     59       1.5559      0.00000
     60       1.6050      0.00000
     61       1.9038      0.00000
     62       1.9561      0.00000
     63       2.4268      0.00000
     64       2.4940      0.00000
     65       2.7420      0.00000
     66       2.8071      0.00000
     67       3.1743      0.00000
     68       3.2041      0.00000
     69       3.3969      0.00000
     70       3.4227      0.00000
     71       3.7812      0.00000
     72       3.8054      0.00000

 k-point   135 :       0.3750    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9396      1.00000
      6     -23.9378      1.00000
      7     -23.9313      1.00000
      8     -23.9295      1.00000
      9     -22.9214      1.00000
     10     -22.9189      1.00000
     11     -22.9019      1.00000
     12     -22.9005      1.00000
     13     -22.8794      1.00000
     14     -22.8787      1.00000
     15     -19.3935      1.00000
     16     -19.3364      1.00000
     17     -19.2345      1.00000
     18     -19.2139      1.00000
     19     -18.3881      1.00000
     20     -18.3330      1.00000
     21     -18.2650      1.00000
     22     -18.1830      1.00000
     23     -18.0902      1.00000
     24     -18.0490      1.00000
     25     -17.9126      1.00000
     26     -17.8919      1.00000
     27     -14.4115      1.00000
     28     -14.4073      1.00000
     29     -14.0868      1.00000
     30     -14.0793      1.00000
     31     -12.8134      1.00000
     32     -12.7912      1.00000
     33      -9.1504      1.00000
     34      -9.1430      1.00000
     35      -6.4409      1.00000
     36      -6.4352      1.00000
     37      -5.3707      1.00000
     38      -5.2293      1.00000
     39      -4.9798      1.00000
     40      -4.8050      1.00000
     41      -3.9275      1.00000
     42      -3.8599      1.00000
     43      -3.5639      1.00000
     44      -3.4971      1.00000
     45      -3.2784      1.00000
     46      -3.2401      1.00000
     47      -2.6545      1.00000
     48      -2.6431      1.00000
     49      -2.5457      1.00000
     50      -2.5351      1.00000
     51      -1.7536      1.00000
     52      -1.7263      1.00000
     53      -0.1237      0.00000
     54      -0.0533      0.00000
     55       0.2131      0.00000
     56       0.2169      0.00000
     57       1.0973      0.00000
     58       1.1087      0.00000
     59       1.4378      0.00000
     60       1.4695      0.00000
     61       1.8961      0.00000
     62       1.9382      0.00000
     63       2.1929      0.00000
     64       2.3105      0.00000
     65       2.8076      0.00000
     66       2.8637      0.00000
     67       3.2324      0.00000
     68       3.2553      0.00000
     69       3.4078      0.00000
     70       3.4331      0.00000
     71       3.7831      0.00000
     72       3.8087      0.00000

 k-point   136 :       0.4375    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9399      1.00000
      6     -23.9389      1.00000
      7     -23.9303      1.00000
      8     -23.9294      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9008      1.00000
     12     -22.9002      1.00000
     13     -22.8780      1.00000
     14     -22.8775      1.00000
     15     -19.3862      1.00000
     16     -19.3557      1.00000
     17     -19.2361      1.00000
     18     -19.2247      1.00000
     19     -18.3731      1.00000
     20     -18.3403      1.00000
     21     -18.2490      1.00000
     22     -18.2017      1.00000
     23     -18.0778      1.00000
     24     -18.0521      1.00000
     25     -17.8951      1.00000
     26     -17.8858      1.00000
     27     -14.3942      1.00000
     28     -14.3919      1.00000
     29     -14.1028      1.00000
     30     -14.0986      1.00000
     31     -12.8115      1.00000
     32     -12.7994      1.00000
     33      -9.2001      1.00000
     34      -9.1962      1.00000
     35      -6.5701      1.00000
     36      -6.5673      1.00000
     37      -5.1825      1.00000
     38      -5.0869      1.00000
     39      -4.7681      1.00000
     40      -4.6421      1.00000
     41      -3.9258      1.00000
     42      -3.8995      1.00000
     43      -3.4083      1.00000
     44      -3.3586      1.00000
     45      -3.2751      1.00000
     46      -3.2187      1.00000
     47      -2.5722      1.00000
     48      -2.5542      1.00000
     49      -2.5247      1.00000
     50      -2.5047      1.00000
     51      -2.0922      1.00000
     52      -2.0760      1.00000
     53      -0.0784      0.00000
     54      -0.0256      0.00000
     55       0.0438      0.00000
     56       0.0504      0.00000
     57       0.9986      0.00000
     58       1.0134      0.00000
     59       1.0778      0.00000
     60       1.0834      0.00000
     61       2.0585      0.00000
     62       2.0904      0.00000
     63       2.2719      0.00000
     64       2.3738      0.00000
     65       2.6840      0.00000
     66       2.7028      0.00000
     67       3.2591      0.00000
     68       3.2780      0.00000
     69       3.6111      0.00000
     70       3.6374      0.00000
     71       3.8268      0.00000
     72       3.8520      0.00000

 k-point   137 :       0.5000    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9397      1.00000
      6     -23.9397      1.00000
      7     -23.9297      1.00000
      8     -23.9296      1.00000
      9     -22.9226      1.00000
     10     -22.9226      1.00000
     11     -22.9003      1.00000
     12     -22.9002      1.00000
     13     -22.8773      1.00000
     14     -22.8772      1.00000
     15     -19.3739      1.00000
     16     -19.3731      1.00000
     17     -19.2330      1.00000
     18     -19.2328      1.00000
     19     -18.3563      1.00000
     20     -18.3552      1.00000
     21     -18.2258      1.00000
     22     -18.2256      1.00000
     23     -18.0625      1.00000
     24     -18.0623      1.00000
     25     -17.8858      1.00000
     26     -17.8857      1.00000
     27     -14.3858      1.00000
     28     -14.3856      1.00000
     29     -14.1087      1.00000
     30     -14.1085      1.00000
     31     -12.8075      1.00000
     32     -12.8059      1.00000
     33      -9.2188      1.00000
     34      -9.2186      1.00000
     35      -6.6152      1.00000
     36      -6.6150      1.00000
     37      -5.1012      1.00000
     38      -5.1011      1.00000
     39      -4.5738      1.00000
     40      -4.5737      1.00000
     41      -3.9412      1.00000
     42      -3.9407      1.00000
     43      -3.3593      1.00000
     44      -3.3584      1.00000
     45      -3.1818      1.00000
     46      -3.1816      1.00000
     47      -2.5412      1.00000
     48      -2.5399      1.00000
     49      -2.4875      1.00000
     50      -2.4868      1.00000
     51      -2.2494      1.00000
     52      -2.2492      1.00000
     53      -0.0527      0.00000
     54      -0.0390      0.00000
     55      -0.0153      0.00000
     56       0.0039      0.00000
     57       0.8801      0.00000
     58       0.8804      0.00000
     59       0.9723      0.00000
     60       1.0078      0.00000
     61       2.0944      0.00000
     62       2.0964      0.00000
     63       2.4418      0.00000
     64       2.4421      0.00000
     65       2.6088      0.00000
     66       2.6107      0.00000
     67       3.2965      0.00000
     68       3.3088      0.00000
     69       3.7306      0.00000
     70       3.7610      0.00000
     71       3.8671      0.00000
     72       3.8743      0.00000

 k-point   138 :      -0.4375    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9399      1.00000
      6     -23.9389      1.00000
      7     -23.9303      1.00000
      8     -23.9294      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9008      1.00000
     12     -22.9002      1.00000
     13     -22.8780      1.00000
     14     -22.8775      1.00000
     15     -19.3866      1.00000
     16     -19.3554      1.00000
     17     -19.2360      1.00000
     18     -19.2248      1.00000
     19     -18.3724      1.00000
     20     -18.3409      1.00000
     21     -18.2491      1.00000
     22     -18.2016      1.00000
     23     -18.0778      1.00000
     24     -18.0521      1.00000
     25     -17.8951      1.00000
     26     -17.8858      1.00000
     27     -14.3941      1.00000
     28     -14.3920      1.00000
     29     -14.1026      1.00000
     30     -14.0988      1.00000
     31     -12.8114      1.00000
     32     -12.7994      1.00000
     33      -9.2001      1.00000
     34      -9.1962      1.00000
     35      -6.5701      1.00000
     36      -6.5673      1.00000
     37      -5.1825      1.00000
     38      -5.0869      1.00000
     39      -4.7681      1.00000
     40      -4.6420      1.00000
     41      -3.9261      1.00000
     42      -3.8991      1.00000
     43      -3.4080      1.00000
     44      -3.3589      1.00000
     45      -3.2754      1.00000
     46      -3.2183      1.00000
     47      -2.5719      1.00000
     48      -2.5544      1.00000
     49      -2.5244      1.00000
     50      -2.5050      1.00000
     51      -2.0923      1.00000
     52      -2.0759      1.00000
     53      -0.0603      0.00000
     54      -0.0433      0.00000
     55       0.0432      0.00000
     56       0.0507      0.00000
     57       0.9902      0.00000
     58       1.0150      0.00000
     59       1.0710      0.00000
     60       1.0970      0.00000
     61       2.0576      0.00000
     62       2.0913      0.00000
     63       2.2723      0.00000
     64       2.3733      0.00000
     65       2.6854      0.00000
     66       2.7016      0.00000
     67       3.2576      0.00000
     68       3.2796      0.00000
     69       3.6073      0.00000
     70       3.6417      0.00000
     71       3.8332      0.00000
     72       3.8451      0.00000

 k-point   139 :      -0.3750    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9397      1.00000
      6     -23.9378      1.00000
      7     -23.9313      1.00000
      8     -23.9295      1.00000
      9     -22.9214      1.00000
     10     -22.9189      1.00000
     11     -22.9019      1.00000
     12     -22.9005      1.00000
     13     -22.8794      1.00000
     14     -22.8787      1.00000
     15     -19.3939      1.00000
     16     -19.3360      1.00000
     17     -19.2344      1.00000
     18     -19.2140      1.00000
     19     -18.3875      1.00000
     20     -18.3334      1.00000
     21     -18.2651      1.00000
     22     -18.1829      1.00000
     23     -18.0903      1.00000
     24     -18.0489      1.00000
     25     -17.9126      1.00000
     26     -17.8919      1.00000
     27     -14.4114      1.00000
     28     -14.4074      1.00000
     29     -14.0867      1.00000
     30     -14.0795      1.00000
     31     -12.8133      1.00000
     32     -12.7913      1.00000
     33      -9.1503      1.00000
     34      -9.1430      1.00000
     35      -6.4409      1.00000
     36      -6.4353      1.00000
     37      -5.3707      1.00000
     38      -5.2293      1.00000
     39      -4.9799      1.00000
     40      -4.8049      1.00000
     41      -3.9276      1.00000
     42      -3.8597      1.00000
     43      -3.5637      1.00000
     44      -3.4973      1.00000
     45      -3.2793      1.00000
     46      -3.2393      1.00000
     47      -2.6539      1.00000
     48      -2.6436      1.00000
     49      -2.5450      1.00000
     50      -2.5358      1.00000
     51      -1.7537      1.00000
     52      -1.7262      1.00000
     53      -0.1021      0.00000
     54      -0.0750      0.00000
     55       0.2122      0.00000
     56       0.2177      0.00000
     57       1.0788      0.00000
     58       1.1260      0.00000
     59       1.4376      0.00000
     60       1.4709      0.00000
     61       1.8960      0.00000
     62       1.9372      0.00000
     63       2.1962      0.00000
     64       2.3077      0.00000
     65       2.8093      0.00000
     66       2.8621      0.00000
     67       3.2330      0.00000
     68       3.2552      0.00000
     69       3.4072      0.00000
     70       3.4338      0.00000
     71       3.7931      0.00000
     72       3.7987      0.00000

 k-point   140 :      -0.3125    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2601      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9325      1.00000
      8     -23.9297      1.00000
      9     -22.9198      1.00000
     10     -22.9165      1.00000
     11     -22.9032      1.00000
     12     -22.9011      1.00000
     13     -22.8807      1.00000
     14     -22.8800      1.00000
     15     -19.3970      1.00000
     16     -19.3211      1.00000
     17     -19.2307      1.00000
     18     -19.2045      1.00000
     19     -18.3981      1.00000
     20     -18.3361      1.00000
     21     -18.2702      1.00000
     22     -18.1734      1.00000
     23     -18.0940      1.00000
     24     -18.0487      1.00000
     25     -17.9319      1.00000
     26     -17.8987      1.00000
     27     -14.4268      1.00000
     28     -14.4216      1.00000
     29     -14.0717      1.00000
     30     -14.0624      1.00000
     31     -12.8135      1.00000
     32     -12.7848      1.00000
     33      -9.0969      1.00000
     34      -9.0873      1.00000
     35      -6.2544      1.00000
     36      -6.2457      1.00000
     37      -5.6400      1.00000
     38      -5.5622      1.00000
     39      -4.9822      1.00000
     40      -4.8893      1.00000
     41      -4.0627      1.00000
     42      -3.9970      1.00000
     43      -3.5969      1.00000
     44      -3.5409      1.00000
     45      -3.2064      1.00000
     46      -3.1865      1.00000
     47      -2.7731      1.00000
     48      -2.7706      1.00000
     49      -2.5561      1.00000
     50      -2.5514      1.00000
     51      -1.4500      0.14062
     52      -1.4206      0.02798
     53      -0.1328      0.00000
     54      -0.0961      0.00000
     55       0.4307      0.00000
     56       0.4411      0.00000
     57       1.0556      0.00000
     58       1.0951      0.00000
     59       1.5549      0.00000
     60       1.6061      0.00000
     61       1.9080      0.00000
     62       1.9519      0.00000
     63       2.4323      0.00000
     64       2.4878      0.00000
     65       2.7439      0.00000
     66       2.8067      0.00000
     67       3.1793      0.00000
     68       3.1994      0.00000
     69       3.3939      0.00000
     70       3.4262      0.00000
     71       3.7771      0.00000
     72       3.8094      0.00000

 k-point   141 :      -0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2600      1.00000
      5     -23.9390      1.00000
      6     -23.9358      1.00000
      7     -23.9331      1.00000
      8     -23.9299      1.00000
      9     -22.9190      1.00000
     10     -22.9154      1.00000
     11     -22.9039      1.00000
     12     -22.9015      1.00000
     13     -22.8812      1.00000
     14     -22.8806      1.00000
     15     -19.3978      1.00000
     16     -19.3155      1.00000
     17     -19.2288      1.00000
     18     -19.2008      1.00000
     19     -18.4020      1.00000
     20     -18.3391      1.00000
     21     -18.2707      1.00000
     22     -18.1708      1.00000
     23     -18.0941      1.00000
     24     -18.0479      1.00000
     25     -17.9411      1.00000
     26     -17.9015      1.00000
     27     -14.4327      1.00000
     28     -14.4272      1.00000
     29     -14.0658      1.00000
     30     -14.0557      1.00000
     31     -12.8134      1.00000
     32     -12.7824      1.00000
     33      -9.0736      1.00000
     34      -9.0633      1.00000
     35      -6.1108      1.00000
     36      -6.1034      1.00000
     37      -5.8163      1.00000
     38      -5.7650      1.00000
     39      -4.9527      1.00000
     40      -4.9206      1.00000
     41      -4.1475      1.00000
     42      -4.1033      1.00000
     43      -3.5784      1.00000
     44      -3.5322      1.00000
     45      -3.1430      1.00000
     46      -3.1303      1.00000
     47      -2.8529      1.00000
     48      -2.8509      1.00000
     49      -2.5607      1.00000
     50      -2.5555      1.00000
     51      -1.3295      0.00000
     52      -1.3011      0.00000
     53      -0.1441      0.00000
     54      -0.1013      0.00000
     55       0.5750      0.00000
     56       0.5912      0.00000
     57       0.9540      0.00000
     58       1.0095      0.00000
     59       1.4800      0.00000
     60       1.5339      0.00000
     61       2.0623      0.00000
     62       2.0949      0.00000
     63       2.5534      0.00000
     64       2.5906      0.00000
     65       2.7326      0.00000
     66       2.8026      0.00000
     67       3.0946      0.00000
     68       3.1212      0.00000
     69       3.3727      0.00000
     70       3.4071      0.00000
     71       3.7352      0.00000
     72       3.7607      0.00000

 k-point   142 :      -0.1875    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2601      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9325      1.00000
      8     -23.9297      1.00000
      9     -22.9198      1.00000
     10     -22.9165      1.00000
     11     -22.9032      1.00000
     12     -22.9011      1.00000
     13     -22.8807      1.00000
     14     -22.8801      1.00000
     15     -19.3970      1.00000
     16     -19.3211      1.00000
     17     -19.2307      1.00000
     18     -19.2045      1.00000
     19     -18.3982      1.00000
     20     -18.3360      1.00000
     21     -18.2701      1.00000
     22     -18.1734      1.00000
     23     -18.0939      1.00000
     24     -18.0487      1.00000
     25     -17.9319      1.00000
     26     -17.8986      1.00000
     27     -14.4268      1.00000
     28     -14.4216      1.00000
     29     -14.0717      1.00000
     30     -14.0624      1.00000
     31     -12.8135      1.00000
     32     -12.7848      1.00000
     33      -9.0969      1.00000
     34      -9.0873      1.00000
     35      -6.2543      1.00000
     36      -6.2458      1.00000
     37      -5.6400      1.00000
     38      -5.5622      1.00000
     39      -4.9822      1.00000
     40      -4.8894      1.00000
     41      -4.0626      1.00000
     42      -3.9971      1.00000
     43      -3.5969      1.00000
     44      -3.5409      1.00000
     45      -3.2054      1.00000
     46      -3.1874      1.00000
     47      -2.7745      1.00000
     48      -2.7693      1.00000
     49      -2.5562      1.00000
     50      -2.5514      1.00000
     51      -1.4501      0.14070
     52      -1.4206      0.02796
     53      -0.1372      0.00000
     54      -0.0918      0.00000
     55       0.4307      0.00000
     56       0.4413      0.00000
     57       1.0590      0.00000
     58       1.0919      0.00000
     59       1.5556      0.00000
     60       1.6052      0.00000
     61       1.9060      0.00000
     62       1.9541      0.00000
     63       2.4262      0.00000
     64       2.4949      0.00000
     65       2.7379      0.00000
     66       2.8114      0.00000
     67       3.1808      0.00000
     68       3.1978      0.00000
     69       3.3951      0.00000
     70       3.4245      0.00000
     71       3.7817      0.00000
     72       3.8047      0.00000

 k-point   143 :      -0.1250    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9397      1.00000
      6     -23.9378      1.00000
      7     -23.9313      1.00000
      8     -23.9295      1.00000
      9     -22.9214      1.00000
     10     -22.9189      1.00000
     11     -22.9019      1.00000
     12     -22.9005      1.00000
     13     -22.8794      1.00000
     14     -22.8787      1.00000
     15     -19.3939      1.00000
     16     -19.3360      1.00000
     17     -19.2345      1.00000
     18     -19.2139      1.00000
     19     -18.3877      1.00000
     20     -18.3333      1.00000
     21     -18.2649      1.00000
     22     -18.1831      1.00000
     23     -18.0902      1.00000
     24     -18.0490      1.00000
     25     -17.9126      1.00000
     26     -17.8918      1.00000
     27     -14.4114      1.00000
     28     -14.4074      1.00000
     29     -14.0867      1.00000
     30     -14.0795      1.00000
     31     -12.8133      1.00000
     32     -12.7913      1.00000
     33      -9.1503      1.00000
     34      -9.1431      1.00000
     35      -6.4408      1.00000
     36      -6.4353      1.00000
     37      -5.3707      1.00000
     38      -5.2293      1.00000
     39      -4.9798      1.00000
     40      -4.8050      1.00000
     41      -3.9275      1.00000
     42      -3.8599      1.00000
     43      -3.5638      1.00000
     44      -3.4972      1.00000
     45      -3.2784      1.00000
     46      -3.2402      1.00000
     47      -2.6548      1.00000
     48      -2.6428      1.00000
     49      -2.5451      1.00000
     50      -2.5358      1.00000
     51      -1.7537      1.00000
     52      -1.7262      1.00000
     53      -0.1102      0.00000
     54      -0.0670      0.00000
     55       0.2119      0.00000
     56       0.2180      0.00000
     57       1.0915      0.00000
     58       1.1136      0.00000
     59       1.4386      0.00000
     60       1.4694      0.00000
     61       1.8960      0.00000
     62       1.9385      0.00000
     63       2.1919      0.00000
     64       2.3113      0.00000
     65       2.8048      0.00000
     66       2.8664      0.00000
     67       3.2369      0.00000
     68       3.2509      0.00000
     69       3.4119      0.00000
     70       3.4289      0.00000
     71       3.7851      0.00000
     72       3.8067      0.00000

 k-point   144 :      -0.0625    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9399      1.00000
      6     -23.9389      1.00000
      7     -23.9303      1.00000
      8     -23.9294      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9008      1.00000
     12     -22.9002      1.00000
     13     -22.8780      1.00000
     14     -22.8775      1.00000
     15     -19.3866      1.00000
     16     -19.3554      1.00000
     17     -19.2360      1.00000
     18     -19.2248      1.00000
     19     -18.3727      1.00000
     20     -18.3407      1.00000
     21     -18.2489      1.00000
     22     -18.2018      1.00000
     23     -18.0777      1.00000
     24     -18.0522      1.00000
     25     -17.8951      1.00000
     26     -17.8857      1.00000
     27     -14.3941      1.00000
     28     -14.3920      1.00000
     29     -14.1026      1.00000
     30     -14.0988      1.00000
     31     -12.8114      1.00000
     32     -12.7994      1.00000
     33      -9.2001      1.00000
     34      -9.1962      1.00000
     35      -6.5701      1.00000
     36      -6.5673      1.00000
     37      -5.1825      1.00000
     38      -5.0869      1.00000
     39      -4.7681      1.00000
     40      -4.6421      1.00000
     41      -3.9258      1.00000
     42      -3.8994      1.00000
     43      -3.4083      1.00000
     44      -3.3585      1.00000
     45      -3.2751      1.00000
     46      -3.2187      1.00000
     47      -2.5724      1.00000
     48      -2.5540      1.00000
     49      -2.5243      1.00000
     50      -2.5051      1.00000
     51      -2.0923      1.00000
     52      -2.0759      1.00000
     53      -0.0688      0.00000
     54      -0.0350      0.00000
     55       0.0435      0.00000
     56       0.0505      0.00000
     57       0.9992      0.00000
     58       1.0093      0.00000
     59       1.0753      0.00000
     60       1.0894      0.00000
     61       2.0591      0.00000
     62       2.0897      0.00000
     63       2.2720      0.00000
     64       2.3737      0.00000
     65       2.6834      0.00000
     66       2.7032      0.00000
     67       3.2628      0.00000
     68       3.2745      0.00000
     69       3.6156      0.00000
     70       3.6330      0.00000
     71       3.8259      0.00000
     72       3.8527      0.00000

 k-point   145 :       0.0000   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3719      1.00000
      2     -36.3706      1.00000
      3     -36.2610      1.00000
      4     -36.2608      1.00000
      5     -23.9398      1.00000
      6     -23.9392      1.00000
      7     -23.9299      1.00000
      8     -23.9298      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9004      1.00000
     12     -22.9003      1.00000
     13     -22.8782      1.00000
     14     -22.8778      1.00000
     15     -19.3861      1.00000
     16     -19.3499      1.00000
     17     -19.2334      1.00000
     18     -19.2172      1.00000
     19     -18.3719      1.00000
     20     -18.3309      1.00000
     21     -18.2296      1.00000
     22     -18.2109      1.00000
     23     -18.0623      1.00000
     24     -18.0531      1.00000
     25     -17.8844      1.00000
     26     -17.8835      1.00000
     27     -14.4650      1.00000
     28     -14.4610      1.00000
     29     -14.1060      1.00000
     30     -14.1012      1.00000
     31     -12.8169      1.00000
     32     -12.8092      1.00000
     33      -9.1466      1.00000
     34      -9.1437      1.00000
     35      -6.5416      1.00000
     36      -6.5387      1.00000
     37      -5.1183      1.00000
     38      -5.0963      1.00000
     39      -4.5426      1.00000
     40      -4.5395      1.00000
     41      -3.9216      1.00000
     42      -3.9017      1.00000
     43      -3.3657      1.00000
     44      -3.3450      1.00000
     45      -3.1715      1.00000
     46      -3.1683      1.00000
     47      -2.5823      1.00000
     48      -2.5736      1.00000
     49      -2.4991      1.00000
     50      -2.4970      1.00000
     51      -2.1810      1.00000
     52      -2.1765      1.00000
     53      -0.2125      0.00000
     54      -0.1592      0.00000
     55       0.0076      0.00000
     56       0.0103      0.00000
     57       0.8660      0.00000
     58       0.8842      0.00000
     59       1.1157      0.00000
     60       1.1557      0.00000
     61       2.1176      0.00000
     62       2.1201      0.00000
     63       2.4384      0.00000
     64       2.4424      0.00000
     65       2.6319      0.00000
     66       2.6418      0.00000
     67       3.1480      0.00000
     68       3.1701      0.00000
     69       3.5806      0.00000
     70       3.5971      0.00000
     71       3.7598      0.00000
     72       3.7696      0.00000

 k-point   146 :       0.0625   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3735      1.00000
      2     -36.3722      1.00000
      3     -36.2616      1.00000
      4     -36.2614      1.00000
      5     -23.9398      1.00000
      6     -23.9384      1.00000
      7     -23.9307      1.00000
      8     -23.9298      1.00000
      9     -22.9219      1.00000
     10     -22.9196      1.00000
     11     -22.9009      1.00000
     12     -22.9003      1.00000
     13     -22.8794      1.00000
     14     -22.8789      1.00000
     15     -19.3893      1.00000
     16     -19.3337      1.00000
     17     -19.2271      1.00000
     18     -19.2040      1.00000
     19     -18.3790      1.00000
     20     -18.3167      1.00000
     21     -18.2414      1.00000
     22     -18.1893      1.00000
     23     -18.0665      1.00000
     24     -18.0427      1.00000
     25     -17.8902      1.00000
     26     -17.8829      1.00000
     27     -14.5325      1.00000
     28     -14.5267      1.00000
     29     -14.1059      1.00000
     30     -14.0983      1.00000
     31     -12.8253      1.00000
     32     -12.8102      1.00000
     33      -9.0643      1.00000
     34      -9.0593      1.00000
     35      -6.4268      1.00000
     36      -6.4219      1.00000
     37      -5.1767      1.00000
     38      -5.0958      1.00000
     39      -4.6771      1.00000
     40      -4.5715      1.00000
     41      -3.8996      1.00000
     42      -3.8579      1.00000
     43      -3.4040      1.00000
     44      -3.3306      1.00000
     45      -3.2595      1.00000
     46      -3.1872      1.00000
     47      -2.6430      1.00000
     48      -2.6318      1.00000
     49      -2.5325      1.00000
     50      -2.5238      1.00000
     51      -1.9626      1.00000
     52      -1.9459      1.00000
     53      -0.3389      0.00000
     54      -0.2764      0.00000
     55       0.1023      0.00000
     56       0.1064      0.00000
     57       1.0198      0.00000
     58       1.0519      0.00000
     59       1.2291      0.00000
     60       1.2706      0.00000
     61       2.0817      0.00000
     62       2.1165      0.00000
     63       2.3034      0.00000
     64       2.3919      0.00000
     65       2.6975      0.00000
     66       2.7167      0.00000
     67       3.0078      0.00000
     68       3.0372      0.00000
     69       3.4503      0.00000
     70       3.4816      0.00000
     71       3.7005      0.00000
     72       3.7033      0.00000

 k-point   147 :       0.1250   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3747      1.00000
      2     -36.3734      1.00000
      3     -36.2621      1.00000
      4     -36.2619      1.00000
      5     -23.9395      1.00000
      6     -23.9371      1.00000
      7     -23.9317      1.00000
      8     -23.9301      1.00000
      9     -22.9206      1.00000
     10     -22.9172      1.00000
     11     -22.9016      1.00000
     12     -22.9007      1.00000
     13     -22.8811      1.00000
     14     -22.8804      1.00000
     15     -19.3908      1.00000
     16     -19.3184      1.00000
     17     -19.2181      1.00000
     18     -19.1905      1.00000
     19     -18.3850      1.00000
     20     -18.3049      1.00000
     21     -18.2573      1.00000
     22     -18.1706      1.00000
     23     -18.0671      1.00000
     24     -18.0376      1.00000
     25     -17.9026      1.00000
     26     -17.8880      1.00000
     27     -14.5843      1.00000
     28     -14.5772      1.00000
     29     -14.1046      1.00000
     30     -14.0944      1.00000
     31     -12.8311      1.00000
     32     -12.8081      1.00000
     33      -8.9768      1.00000
     34      -8.9697      1.00000
     35      -6.2421      1.00000
     36      -6.2346      1.00000
     37      -5.3446      1.00000
     38      -5.2474      1.00000
     39      -4.7750      1.00000
     40      -4.6444      1.00000
     41      -3.9440      1.00000
     42      -3.8694      1.00000
     43      -3.5220      1.00000
     44      -3.4380      1.00000
     45      -3.2549      1.00000
     46      -3.2054      1.00000
     47      -2.7492      1.00000
     48      -2.7389      1.00000
     49      -2.5562      1.00000
     50      -2.5511      1.00000
     51      -1.5881      0.99765
     52      -1.5612      0.98060
     53      -0.4157      0.00000
     54      -0.3456      0.00000
     55       0.2756      0.00000
     56       0.2789      0.00000
     57       1.1987      0.00000
     58       1.2361      0.00000
     59       1.4437      0.00000
     60       1.4886      0.00000
     61       1.8805      0.00000
     62       1.9323      0.00000
     63       2.3137      0.00000
     64       2.3686      0.00000
     65       2.6990      0.00000
     66       2.7233      0.00000
     67       3.0606      0.00000
     68       3.0711      0.00000
     69       3.2436      0.00000
     70       3.2721      0.00000
     71       3.6759      0.00000
     72       3.6909      0.00000

 k-point   148 :       0.1875   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3754      1.00000
      2     -36.3740      1.00000
      3     -36.2623      1.00000
      4     -36.2621      1.00000
      5     -23.9393      1.00000
      6     -23.9360      1.00000
      7     -23.9327      1.00000
      8     -23.9303      1.00000
      9     -22.9195      1.00000
     10     -22.9153      1.00000
     11     -22.9022      1.00000
     12     -22.9011      1.00000
     13     -22.8822      1.00000
     14     -22.8816      1.00000
     15     -19.3910      1.00000
     16     -19.3097      1.00000
     17     -19.2112      1.00000
     18     -19.1819      1.00000
     19     -18.3881      1.00000
     20     -18.2956      1.00000
     21     -18.2713      1.00000
     22     -18.1614      1.00000
     23     -18.0628      1.00000
     24     -18.0366      1.00000
     25     -17.9136      1.00000
     26     -17.8929      1.00000
     27     -14.6122      1.00000
     28     -14.6044      1.00000
     29     -14.1036      1.00000
     30     -14.0920      1.00000
     31     -12.8337      1.00000
     32     -12.8063      1.00000
     33      -8.9191      1.00000
     34      -8.9110      1.00000
     35      -6.0259      1.00000
     36      -6.0159      1.00000
     37      -5.5958      1.00000
     38      -5.5342      1.00000
     39      -4.6797      1.00000
     40      -4.6080      1.00000
     41      -4.0881      1.00000
     42      -4.0328      1.00000
     43      -3.5525      1.00000
     44      -3.4841      1.00000
     45      -3.2030      1.00000
     46      -3.1825      1.00000
     47      -2.8489      1.00000
     48      -2.8367      1.00000
     49      -2.5670      1.00000
     50      -2.5599      1.00000
     51      -1.3087      0.00000
     52      -1.2784      0.00000
     53      -0.4488      0.00000
     54      -0.3735      0.00000
     55       0.4611      0.00000
     56       0.4675      0.00000
     57       1.0596      0.00000
     58       1.1199      0.00000
     59       1.5876      0.00000
     60       1.6803      0.00000
     61       1.9054      0.00000
     62       1.9860      0.00000
     63       2.4164      0.00000
     64       2.4435      0.00000
     65       2.6093      0.00000
     66       2.6188      0.00000
     67       2.9869      0.00000
     68       3.0033      0.00000
     69       3.2787      0.00000
     70       3.3180      0.00000
     71       3.5912      0.00000
     72       3.6104      0.00000

 k-point   149 :       0.2500   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3754      1.00000
      2     -36.3740      1.00000
      3     -36.2623      1.00000
      4     -36.2621      1.00000
      5     -23.9393      1.00000
      6     -23.9360      1.00000
      7     -23.9326      1.00000
      8     -23.9303      1.00000
      9     -22.9195      1.00000
     10     -22.9153      1.00000
     11     -22.9022      1.00000
     12     -22.9011      1.00000
     13     -22.8822      1.00000
     14     -22.8816      1.00000
     15     -19.3910      1.00000
     16     -19.3097      1.00000
     17     -19.2112      1.00000
     18     -19.1819      1.00000
     19     -18.3882      1.00000
     20     -18.2955      1.00000
     21     -18.2713      1.00000
     22     -18.1614      1.00000
     23     -18.0628      1.00000
     24     -18.0366      1.00000
     25     -17.9136      1.00000
     26     -17.8929      1.00000
     27     -14.6122      1.00000
     28     -14.6044      1.00000
     29     -14.1036      1.00000
     30     -14.0920      1.00000
     31     -12.8336      1.00000
     32     -12.8063      1.00000
     33      -8.9191      1.00000
     34      -8.9110      1.00000
     35      -6.0259      1.00000
     36      -6.0160      1.00000
     37      -5.5958      1.00000
     38      -5.5342      1.00000
     39      -4.6796      1.00000
     40      -4.6081      1.00000
     41      -4.0881      1.00000
     42      -4.0328      1.00000
     43      -3.5525      1.00000
     44      -3.4841      1.00000
     45      -3.2019      1.00000
     46      -3.1836      1.00000
     47      -2.8493      1.00000
     48      -2.8362      1.00000
     49      -2.5671      1.00000
     50      -2.5598      1.00000
     51      -1.3087      0.00000
     52      -1.2784      0.00000
     53      -0.4500      0.00000
     54      -0.3721      0.00000
     55       0.4609      0.00000
     56       0.4677      0.00000
     57       1.0597      0.00000
     58       1.1199      0.00000
     59       1.5883      0.00000
     60       1.6795      0.00000
     61       1.9021      0.00000
     62       1.9900      0.00000
     63       2.4090      0.00000
     64       2.4507      0.00000
     65       2.6048      0.00000
     66       2.6223      0.00000
     67       2.9855      0.00000
     68       3.0047      0.00000
     69       3.2799      0.00000
     70       3.3171      0.00000
     71       3.5911      0.00000
     72       3.6101      0.00000

 k-point   150 :       0.3125   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3747      1.00000
      2     -36.3734      1.00000
      3     -36.2621      1.00000
      4     -36.2619      1.00000
      5     -23.9395      1.00000
      6     -23.9371      1.00000
      7     -23.9317      1.00000
      8     -23.9301      1.00000
      9     -22.9206      1.00000
     10     -22.9172      1.00000
     11     -22.9016      1.00000
     12     -22.9007      1.00000
     13     -22.8811      1.00000
     14     -22.8804      1.00000
     15     -19.3907      1.00000
     16     -19.3185      1.00000
     17     -19.2181      1.00000
     18     -19.1905      1.00000
     19     -18.3853      1.00000
     20     -18.3046      1.00000
     21     -18.2572      1.00000
     22     -18.1707      1.00000
     23     -18.0671      1.00000
     24     -18.0377      1.00000
     25     -17.9027      1.00000
     26     -17.8880      1.00000
     27     -14.5843      1.00000
     28     -14.5772      1.00000
     29     -14.1046      1.00000
     30     -14.0944      1.00000
     31     -12.8310      1.00000
     32     -12.8083      1.00000
     33      -8.9768      1.00000
     34      -8.9697      1.00000
     35      -6.2421      1.00000
     36      -6.2346      1.00000
     37      -5.3446      1.00000
     38      -5.2474      1.00000
     39      -4.7749      1.00000
     40      -4.6444      1.00000
     41      -3.9439      1.00000
     42      -3.8695      1.00000
     43      -3.5222      1.00000
     44      -3.4378      1.00000
     45      -3.2537      1.00000
     46      -3.2065      1.00000
     47      -2.7505      1.00000
     48      -2.7376      1.00000
     49      -2.5567      1.00000
     50      -2.5507      1.00000
     51      -1.5881      0.99765
     52      -1.5612      0.98059
     53      -0.4197      0.00000
     54      -0.3415      0.00000
     55       0.2750      0.00000
     56       0.2795      0.00000
     57       1.2019      0.00000
     58       1.2336      0.00000
     59       1.4446      0.00000
     60       1.4866      0.00000
     61       1.8787      0.00000
     62       1.9355      0.00000
     63       2.3064      0.00000
     64       2.3757      0.00000
     65       2.6893      0.00000
     66       2.7323      0.00000
     67       3.0554      0.00000
     68       3.0755      0.00000
     69       3.2486      0.00000
     70       3.2675      0.00000
     71       3.6777      0.00000
     72       3.6890      0.00000

 k-point   151 :       0.3750   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3735      1.00000
      2     -36.3722      1.00000
      3     -36.2616      1.00000
      4     -36.2614      1.00000
      5     -23.9398      1.00000
      6     -23.9384      1.00000
      7     -23.9307      1.00000
      8     -23.9298      1.00000
      9     -22.9219      1.00000
     10     -22.9196      1.00000
     11     -22.9009      1.00000
     12     -22.9003      1.00000
     13     -22.8794      1.00000
     14     -22.8789      1.00000
     15     -19.3891      1.00000
     16     -19.3339      1.00000
     17     -19.2271      1.00000
     18     -19.2040      1.00000
     19     -18.3794      1.00000
     20     -18.3163      1.00000
     21     -18.2413      1.00000
     22     -18.1894      1.00000
     23     -18.0664      1.00000
     24     -18.0428      1.00000
     25     -17.8903      1.00000
     26     -17.8829      1.00000
     27     -14.5325      1.00000
     28     -14.5267      1.00000
     29     -14.1059      1.00000
     30     -14.0983      1.00000
     31     -12.8250      1.00000
     32     -12.8105      1.00000
     33      -9.0643      1.00000
     34      -9.0593      1.00000
     35      -6.4268      1.00000
     36      -6.4219      1.00000
     37      -5.1767      1.00000
     38      -5.0958      1.00000
     39      -4.6770      1.00000
     40      -4.5715      1.00000
     41      -3.8993      1.00000
     42      -3.8583      1.00000
     43      -3.4045      1.00000
     44      -3.3298      1.00000
     45      -3.2594      1.00000
     46      -3.1876      1.00000
     47      -2.6443      1.00000
     48      -2.6305      1.00000
     49      -2.5328      1.00000
     50      -2.5235      1.00000
     51      -1.9626      1.00000
     52      -1.9459      1.00000
     53      -0.3454      0.00000
     54      -0.2698      0.00000
     55       0.1019      0.00000
     56       0.1068      0.00000
     57       1.0198      0.00000
     58       1.0526      0.00000
     59       1.2397      0.00000
     60       1.2592      0.00000
     61       2.0831      0.00000
     62       2.1158      0.00000
     63       2.3011      0.00000
     64       2.3940      0.00000
     65       2.6926      0.00000
     66       2.7212      0.00000
     67       3.0081      0.00000
     68       3.0366      0.00000
     69       3.4571      0.00000
     70       3.4750      0.00000
     71       3.6939      0.00000
     72       3.7099      0.00000

 k-point   152 :       0.4375   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3719      1.00000
      2     -36.3706      1.00000
      3     -36.2610      1.00000
      4     -36.2608      1.00000
      5     -23.9398      1.00000
      6     -23.9392      1.00000
      7     -23.9299      1.00000
      8     -23.9299      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9004      1.00000
     12     -22.9002      1.00000
     13     -22.8781      1.00000
     14     -22.8778      1.00000
     15     -19.3857      1.00000
     16     -19.3503      1.00000
     17     -19.2334      1.00000
     18     -19.2172      1.00000
     19     -18.3723      1.00000
     20     -18.3305      1.00000
     21     -18.2296      1.00000
     22     -18.2109      1.00000
     23     -18.0623      1.00000
     24     -18.0530      1.00000
     25     -17.8843      1.00000
     26     -17.8835      1.00000
     27     -14.4650      1.00000
     28     -14.4610      1.00000
     29     -14.1060      1.00000
     30     -14.1012      1.00000
     31     -12.8161      1.00000
     32     -12.8100      1.00000
     33      -9.1466      1.00000
     34      -9.1438      1.00000
     35      -6.5417      1.00000
     36      -6.5387      1.00000
     37      -5.1183      1.00000
     38      -5.0963      1.00000
     39      -4.5426      1.00000
     40      -4.5395      1.00000
     41      -3.9214      1.00000
     42      -3.9019      1.00000
     43      -3.3653      1.00000
     44      -3.3455      1.00000
     45      -3.1716      1.00000
     46      -3.1682      1.00000
     47      -2.5829      1.00000
     48      -2.5729      1.00000
     49      -2.4995      1.00000
     50      -2.4967      1.00000
     51      -2.1810      1.00000
     52      -2.1765      1.00000
     53      -0.2206      0.00000
     54      -0.1510      0.00000
     55       0.0072      0.00000
     56       0.0107      0.00000
     57       0.8655      0.00000
     58       0.8850      0.00000
     59       1.1294      0.00000
     60       1.1417      0.00000
     61       2.1178      0.00000
     62       2.1199      0.00000
     63       2.4385      0.00000
     64       2.4423      0.00000
     65       2.6309      0.00000
     66       2.6428      0.00000
     67       3.1457      0.00000
     68       3.1722      0.00000
     69       3.5799      0.00000
     70       3.5978      0.00000
     71       3.7630      0.00000
     72       3.7664      0.00000

 k-point   153 :       0.5000   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9399      1.00000
      6     -23.9389      1.00000
      7     -23.9303      1.00000
      8     -23.9294      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9008      1.00000
     12     -22.9002      1.00000
     13     -22.8780      1.00000
     14     -22.8775      1.00000
     15     -19.3861      1.00000
     16     -19.3558      1.00000
     17     -19.2361      1.00000
     18     -19.2247      1.00000
     19     -18.3731      1.00000
     20     -18.3403      1.00000
     21     -18.2491      1.00000
     22     -18.2016      1.00000
     23     -18.0778      1.00000
     24     -18.0520      1.00000
     25     -17.8951      1.00000
     26     -17.8858      1.00000
     27     -14.3942      1.00000
     28     -14.3919      1.00000
     29     -14.1027      1.00000
     30     -14.0987      1.00000
     31     -12.8110      1.00000
     32     -12.7999      1.00000
     33      -9.2001      1.00000
     34      -9.1963      1.00000
     35      -6.5702      1.00000
     36      -6.5673      1.00000
     37      -5.1825      1.00000
     38      -5.0870      1.00000
     39      -4.7681      1.00000
     40      -4.6420      1.00000
     41      -3.9260      1.00000
     42      -3.8992      1.00000
     43      -3.4079      1.00000
     44      -3.3590      1.00000
     45      -3.2755      1.00000
     46      -3.2183      1.00000
     47      -2.5721      1.00000
     48      -2.5542      1.00000
     49      -2.5245      1.00000
     50      -2.5048      1.00000
     51      -2.0923      1.00000
     52      -2.0759      1.00000
     53      -0.0789      0.00000
     54      -0.0250      0.00000
     55       0.0437      0.00000
     56       0.0506      0.00000
     57       0.9949      0.00000
     58       1.0168      0.00000
     59       1.0742      0.00000
     60       1.0874      0.00000
     61       2.0575      0.00000
     62       2.0914      0.00000
     63       2.2720      0.00000
     64       2.3736      0.00000
     65       2.6850      0.00000
     66       2.7020      0.00000
     67       3.2567      0.00000
     68       3.2802      0.00000
     69       3.6067      0.00000
     70       3.6421      0.00000
     71       3.8298      0.00000
     72       3.8488      0.00000

 k-point   154 :      -0.4375   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3687      1.00000
      2     -36.3673      1.00000
      3     -36.2596      1.00000
      4     -36.2595      1.00000
      5     -23.9397      1.00000
      6     -23.9381      1.00000
      7     -23.9312      1.00000
      8     -23.9293      1.00000
      9     -22.9216      1.00000
     10     -22.9196      1.00000
     11     -22.9020      1.00000
     12     -22.9004      1.00000
     13     -22.8788      1.00000
     14     -22.8781      1.00000
     15     -19.3935      1.00000
     16     -19.3456      1.00000
     17     -19.2374      1.00000
     18     -19.2235      1.00000
     19     -18.3880      1.00000
     20     -18.3453      1.00000
     21     -18.2665      1.00000
     22     -18.1864      1.00000
     23     -18.0989      1.00000
     24     -18.0519      1.00000
     25     -17.9163      1.00000
     26     -17.8934      1.00000
     27     -14.3352      1.00000
     28     -14.3337      1.00000
     29     -14.0929      1.00000
     30     -14.0867      1.00000
     31     -12.8068      1.00000
     32     -12.7857      1.00000
     33      -9.2164      1.00000
     34      -9.2093      1.00000
     35      -6.5073      1.00000
     36      -6.5024      1.00000
     37      -5.3807      1.00000
     38      -5.2069      1.00000
     39      -5.0611      1.00000
     40      -4.8536      1.00000
     41      -3.9071      1.00000
     42      -3.8391      1.00000
     43      -3.6008      1.00000
     44      -3.5440      1.00000
     45      -3.2807      1.00000
     46      -3.2512      1.00000
     47      -2.6192      1.00000
     48      -2.6012      1.00000
     49      -2.5447      1.00000
     50      -2.5272      1.00000
     51      -1.8145      1.00000
     52      -1.7871      1.00000
     53       0.0154      0.00000
     54       0.0491      0.00000
     55       0.2113      0.00000
     56       0.2203      0.00000
     57       1.0062      0.00000
     58       1.0490      0.00000
     59       1.4301      0.00000
     60       1.4620      0.00000
     61       1.9114      0.00000
     62       1.9571      0.00000
     63       2.1144      0.00000
     64       2.2599      0.00000
     65       2.8377      0.00000
     66       2.8912      0.00000
     67       3.2587      0.00000
     68       3.2882      0.00000
     69       3.5249      0.00000
     70       3.5561      0.00000
     71       3.8901      0.00000
     72       3.9160      0.00000

 k-point   155 :      -0.3750   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3675      1.00000
      2     -36.3662      1.00000
      3     -36.2591      1.00000
      4     -36.2590      1.00000
      5     -23.9390      1.00000
      6     -23.9370      1.00000
      7     -23.9324      1.00000
      8     -23.9294      1.00000
      9     -22.9198      1.00000
     10     -22.9172      1.00000
     11     -22.9038      1.00000
     12     -22.9012      1.00000
     13     -22.8799      1.00000
     14     -22.8791      1.00000
     15     -19.3996      1.00000
     16     -19.3316      1.00000
     17     -19.2367      1.00000
     18     -19.2178      1.00000
     19     -18.4050      1.00000
     20     -18.3597      1.00000
     21     -18.2655      1.00000
     22     -18.1789      1.00000
     23     -18.1133      1.00000
     24     -18.0520      1.00000
     25     -17.9433      1.00000
     26     -17.9019      1.00000
     27     -14.2987      1.00000
     28     -14.2964      1.00000
     29     -14.0761      1.00000
     30     -14.0676      1.00000
     31     -12.8027      1.00000
     32     -12.7736      1.00000
     33      -9.2045      1.00000
     34      -9.1943      1.00000
     35      -6.3665      1.00000
     36      -6.3587      1.00000
     37      -5.6590      1.00000
     38      -5.5585      1.00000
     39      -5.1671      1.00000
     40      -5.0508      1.00000
     41      -3.9714      1.00000
     42      -3.8766      1.00000
     43      -3.7131      1.00000
     44      -3.6406      1.00000
     45      -3.2156      1.00000
     46      -3.2026      1.00000
     47      -2.7089      1.00000
     48      -2.7001      1.00000
     49      -2.5593      1.00000
     50      -2.5501      1.00000
     51      -1.5432      0.94037
     52      -1.5152      0.77832
     53       0.0588      0.00000
     54       0.0937      0.00000
     55       0.4371      0.00000
     56       0.4460      0.00000
     57       1.0354      0.00000
     58       1.0794      0.00000
     59       1.6056      0.00000
     60       1.6213      0.00000
     61       1.8172      0.00000
     62       1.8520      0.00000
     63       2.3671      0.00000
     64       2.4561      0.00000
     65       2.8360      0.00000
     66       2.9173      0.00000
     67       3.1810      0.00000
     68       3.1933      0.00000
     69       3.5398      0.00000
     70       3.5774      0.00000
     71       3.9607      0.00000
     72       4.0003      0.00000

 k-point   156 :      -0.3125   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3669      1.00000
      2     -36.3655      1.00000
      3     -36.2589      1.00000
      4     -36.2587      1.00000
      5     -23.9384      1.00000
      6     -23.9361      1.00000
      7     -23.9334      1.00000
      8     -23.9296      1.00000
      9     -22.9180      1.00000
     10     -22.9152      1.00000
     11     -22.9056      1.00000
     12     -22.9019      1.00000
     13     -22.8806      1.00000
     14     -22.8800      1.00000
     15     -19.4024      1.00000
     16     -19.3225      1.00000
     17     -19.2350      1.00000
     18     -19.2134      1.00000
     19     -18.4155      1.00000
     20     -18.3731      1.00000
     21     -18.2582      1.00000
     22     -18.1794      1.00000
     23     -18.1196      1.00000
     24     -18.0472      1.00000
     25     -17.9656      1.00000
     26     -17.9074      1.00000
     27     -14.2832      1.00000
     28     -14.2802      1.00000
     29     -14.0623      1.00000
     30     -14.0526      1.00000
     31     -12.8001      1.00000
     32     -12.7667      1.00000
     33      -9.1877      1.00000
     34      -9.1757      1.00000
     35      -6.1981      1.00000
     36      -6.1875      1.00000
     37      -5.8801      1.00000
     38      -5.8264      1.00000
     39      -5.2541      1.00000
     40      -5.2108      1.00000
     41      -4.0686      1.00000
     42      -4.0136      1.00000
     43      -3.6578      1.00000
     44      -3.6199      1.00000
     45      -3.1160      1.00000
     46      -3.1045      1.00000
     47      -2.8232      1.00000
     48      -2.8195      1.00000
     49      -2.5691      1.00000
     50      -2.5635      1.00000
     51      -1.3870      0.00211
     52      -1.3644      0.00023
     53       0.0698      0.00000
     54       0.1124      0.00000
     55       0.6497      0.00000
     56       0.6677      0.00000
     57       1.0067      0.00000
     58       1.0288      0.00000
     59       1.4527      0.00000
     60       1.4837      0.00000
     61       1.9759      0.00000
     62       1.9974      0.00000
     63       2.6055      0.00000
     64       2.6322      0.00000
     65       2.8475      0.00000
     66       2.9132      0.00000
     67       3.0224      0.00000
     68       3.0660      0.00000
     69       3.5169      0.00000
     70       3.5847      0.00000
     71       4.0472      0.00000
     72       4.0690      0.00000

 k-point   157 :      -0.2500   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3669      1.00000
      2     -36.3655      1.00000
      3     -36.2589      1.00000
      4     -36.2587      1.00000
      5     -23.9384      1.00000
      6     -23.9361      1.00000
      7     -23.9334      1.00000
      8     -23.9296      1.00000
      9     -22.9180      1.00000
     10     -22.9152      1.00000
     11     -22.9056      1.00000
     12     -22.9019      1.00000
     13     -22.8806      1.00000
     14     -22.8800      1.00000
     15     -19.4024      1.00000
     16     -19.3224      1.00000
     17     -19.2350      1.00000
     18     -19.2133      1.00000
     19     -18.4156      1.00000
     20     -18.3731      1.00000
     21     -18.2582      1.00000
     22     -18.1794      1.00000
     23     -18.1196      1.00000
     24     -18.0472      1.00000
     25     -17.9656      1.00000
     26     -17.9073      1.00000
     27     -14.2832      1.00000
     28     -14.2802      1.00000
     29     -14.0623      1.00000
     30     -14.0526      1.00000
     31     -12.8001      1.00000
     32     -12.7666      1.00000
     33      -9.1877      1.00000
     34      -9.1757      1.00000
     35      -6.1980      1.00000
     36      -6.1875      1.00000
     37      -5.8801      1.00000
     38      -5.8264      1.00000
     39      -5.2541      1.00000
     40      -5.2109      1.00000
     41      -4.0686      1.00000
     42      -4.0136      1.00000
     43      -3.6577      1.00000
     44      -3.6200      1.00000
     45      -3.1160      1.00000
     46      -3.1045      1.00000
     47      -2.8226      1.00000
     48      -2.8201      1.00000
     49      -2.5689      1.00000
     50      -2.5637      1.00000
     51      -1.3870      0.00212
     52      -1.3643      0.00023
     53       0.0690      0.00000
     54       0.1133      0.00000
     55       0.6501      0.00000
     56       0.6676      0.00000
     57       1.0105      0.00000
     58       1.0252      0.00000
     59       1.4526      0.00000
     60       1.4836      0.00000
     61       1.9793      0.00000
     62       1.9936      0.00000
     63       2.6027      0.00000
     64       2.6353      0.00000
     65       2.8460      0.00000
     66       2.9164      0.00000
     67       3.0153      0.00000
     68       3.0713      0.00000
     69       3.5207      0.00000
     70       3.5804      0.00000
     71       4.0495      0.00000
     72       4.0671      0.00000

 k-point   158 :      -0.1875   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3675      1.00000
      2     -36.3662      1.00000
      3     -36.2591      1.00000
      4     -36.2590      1.00000
      5     -23.9390      1.00000
      6     -23.9370      1.00000
      7     -23.9324      1.00000
      8     -23.9294      1.00000
      9     -22.9197      1.00000
     10     -22.9172      1.00000
     11     -22.9038      1.00000
     12     -22.9012      1.00000
     13     -22.8799      1.00000
     14     -22.8792      1.00000
     15     -19.3997      1.00000
     16     -19.3315      1.00000
     17     -19.2367      1.00000
     18     -19.2178      1.00000
     19     -18.4050      1.00000
     20     -18.3596      1.00000
     21     -18.2653      1.00000
     22     -18.1790      1.00000
     23     -18.1133      1.00000
     24     -18.0520      1.00000
     25     -17.9433      1.00000
     26     -17.9019      1.00000
     27     -14.2986      1.00000
     28     -14.2964      1.00000
     29     -14.0761      1.00000
     30     -14.0676      1.00000
     31     -12.8028      1.00000
     32     -12.7735      1.00000
     33      -9.2044      1.00000
     34      -9.1943      1.00000
     35      -6.3664      1.00000
     36      -6.3587      1.00000
     37      -5.6590      1.00000
     38      -5.5584      1.00000
     39      -5.1671      1.00000
     40      -5.0508      1.00000
     41      -3.9714      1.00000
     42      -3.8766      1.00000
     43      -3.7131      1.00000
     44      -3.6406      1.00000
     45      -3.2149      1.00000
     46      -3.2033      1.00000
     47      -2.7091      1.00000
     48      -2.6999      1.00000
     49      -2.5589      1.00000
     50      -2.5504      1.00000
     51      -1.5432      0.94044
     52      -1.5152      0.77814
     53       0.0576      0.00000
     54       0.0948      0.00000
     55       0.4367      0.00000
     56       0.4466      0.00000
     57       1.0516      0.00000
     58       1.0631      0.00000
     59       1.6057      0.00000
     60       1.6212      0.00000
     61       1.8195      0.00000
     62       1.8494      0.00000
     63       2.3634      0.00000
     64       2.4608      0.00000
     65       2.8293      0.00000
     66       2.9234      0.00000
     67       3.1817      0.00000
     68       3.1924      0.00000
     69       3.5429      0.00000
     70       3.5743      0.00000
     71       3.9670      0.00000
     72       3.9890      0.00000

 k-point   159 :      -0.1250   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3687      1.00000
      2     -36.3673      1.00000
      3     -36.2596      1.00000
      4     -36.2595      1.00000
      5     -23.9396      1.00000
      6     -23.9381      1.00000
      7     -23.9312      1.00000
      8     -23.9293      1.00000
      9     -22.9216      1.00000
     10     -22.9196      1.00000
     11     -22.9020      1.00000
     12     -22.9005      1.00000
     13     -22.8788      1.00000
     14     -22.8781      1.00000
     15     -19.3937      1.00000
     16     -19.3454      1.00000
     17     -19.2374      1.00000
     18     -19.2235      1.00000
     19     -18.3879      1.00000
     20     -18.3454      1.00000
     21     -18.2663      1.00000
     22     -18.1865      1.00000
     23     -18.0988      1.00000
     24     -18.0520      1.00000
     25     -17.9164      1.00000
     26     -17.8933      1.00000
     27     -14.3351      1.00000
     28     -14.3337      1.00000
     29     -14.0929      1.00000
     30     -14.0867      1.00000
     31     -12.8071      1.00000
     32     -12.7855      1.00000
     33      -9.2164      1.00000
     34      -9.2093      1.00000
     35      -6.5073      1.00000
     36      -6.5024      1.00000
     37      -5.3807      1.00000
     38      -5.2069      1.00000
     39      -5.0611      1.00000
     40      -4.8537      1.00000
     41      -3.9070      1.00000
     42      -3.8392      1.00000
     43      -3.6008      1.00000
     44      -3.5439      1.00000
     45      -3.2799      1.00000
     46      -3.2518      1.00000
     47      -2.6196      1.00000
     48      -2.6008      1.00000
     49      -2.5443      1.00000
     50      -2.5276      1.00000
     51      -1.8145      1.00000
     52      -1.7870      1.00000
     53       0.0185      0.00000
     54       0.0460      0.00000
     55       0.2105      0.00000
     56       0.2210      0.00000
     57       1.0215      0.00000
     58       1.0335      0.00000
     59       1.4312      0.00000
     60       1.4610      0.00000
     61       1.9121      0.00000
     62       1.9574      0.00000
     63       2.1116      0.00000
     64       2.2620      0.00000
     65       2.8335      0.00000
     66       2.8949      0.00000
     67       3.2625      0.00000
     68       3.2847      0.00000
     69       3.5277      0.00000
     70       3.5537      0.00000
     71       3.8933      0.00000
     72       3.9109      0.00000

 k-point   160 :      -0.0625   -0.4375    0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9399      1.00000
      6     -23.9390      1.00000
      7     -23.9303      1.00000
      8     -23.9294      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9008      1.00000
     12     -22.9002      1.00000
     13     -22.8780      1.00000
     14     -22.8776      1.00000
     15     -19.3865      1.00000
     16     -19.3555      1.00000
     17     -19.2361      1.00000
     18     -19.2248      1.00000
     19     -18.3728      1.00000
     20     -18.3406      1.00000
     21     -18.2489      1.00000
     22     -18.2018      1.00000
     23     -18.0777      1.00000
     24     -18.0522      1.00000
     25     -17.8951      1.00000
     26     -17.8857      1.00000
     27     -14.3942      1.00000
     28     -14.3919      1.00000
     29     -14.1027      1.00000
     30     -14.0987      1.00000
     31     -12.8114      1.00000
     32     -12.7994      1.00000
     33      -9.2001      1.00000
     34      -9.1963      1.00000
     35      -6.5701      1.00000
     36      -6.5673      1.00000
     37      -5.1825      1.00000
     38      -5.0870      1.00000
     39      -4.7681      1.00000
     40      -4.6421      1.00000
     41      -3.9259      1.00000
     42      -3.8994      1.00000
     43      -3.4083      1.00000
     44      -3.3585      1.00000
     45      -3.2751      1.00000
     46      -3.2187      1.00000
     47      -2.5724      1.00000
     48      -2.5540      1.00000
     49      -2.5243      1.00000
     50      -2.5051      1.00000
     51      -2.0923      1.00000
     52      -2.0759      1.00000
     53      -0.0713      0.00000
     54      -0.0325      0.00000
     55       0.0436      0.00000
     56       0.0505      0.00000
     57       1.0002      0.00000
     58       1.0091      0.00000
     59       1.0763      0.00000
     60       1.0876      0.00000
     61       2.0591      0.00000
     62       2.0897      0.00000
     63       2.2719      0.00000
     64       2.3738      0.00000
     65       2.6834      0.00000
     66       2.7033      0.00000
     67       3.2626      0.00000
     68       3.2746      0.00000
     69       3.6154      0.00000
     70       3.6331      0.00000
     71       3.8256      0.00000
     72       3.8530      0.00000

 k-point   161 :       0.0000   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3767      1.00000
      2     -36.3754      1.00000
      3     -36.2629      1.00000
      4     -36.2627      1.00000
      5     -23.9396      1.00000
      6     -23.9384      1.00000
      7     -23.9305      1.00000
      8     -23.9303      1.00000
      9     -22.9213      1.00000
     10     -22.9189      1.00000
     11     -22.9006      1.00000
     12     -22.9004      1.00000
     13     -22.8804      1.00000
     14     -22.8798      1.00000
     15     -19.3873      1.00000
     16     -19.3242      1.00000
     17     -19.2139      1.00000
     18     -19.1887      1.00000
     19     -18.3784      1.00000
     20     -18.3036      1.00000
     21     -18.2185      1.00000
     22     -18.1849      1.00000
     23     -18.0520      1.00000
     24     -18.0333      1.00000
     25     -17.8801      1.00000
     26     -17.8779      1.00000
     27     -14.6449      1.00000
     28     -14.6379      1.00000
     29     -14.1283      1.00000
     30     -14.1193      1.00000
     31     -12.8382      1.00000
     32     -12.8244      1.00000
     33      -8.9550      1.00000
     34      -8.9506      1.00000
     35      -6.3256      1.00000
     36      -6.3204      1.00000
     37      -5.1053      1.00000
     38      -5.0650      1.00000
     39      -4.4431      1.00000
     40      -4.4354      1.00000
     41      -3.8916      1.00000
     42      -3.8507      1.00000
     43      -3.3514      1.00000
     44      -3.3274      1.00000
     45      -3.1317      1.00000
     46      -3.1295      1.00000
     47      -2.6869      1.00000
     48      -2.6713      1.00000
     49      -2.5205      1.00000
     50      -2.5182      1.00000
     51      -1.9885      1.00000
     52      -1.9822      1.00000
     53      -0.5366      0.00000
     54      -0.4786      0.00000
     55       0.1168      0.00000
     56       0.1231      0.00000
     57       0.8762      0.00000
     58       0.9138      0.00000
     59       1.3366      0.00000
     60       1.3758      0.00000
     61       2.1821      0.00000
     62       2.1869      0.00000
     63       2.4263      0.00000
     64       2.4346      0.00000
     65       2.6099      0.00000
     66       2.6280      0.00000
     67       2.8347      0.00000
     68       2.8554      0.00000
     69       3.5034      0.00000
     70       3.5096      0.00000
     71       3.5178      0.00000
     72       3.5250      0.00000

 k-point   162 :       0.0625   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3795      1.00000
      2     -36.3782      1.00000
      3     -36.2640      1.00000
      4     -36.2638      1.00000
      5     -23.9394      1.00000
      6     -23.9376      1.00000
      7     -23.9313      1.00000
      8     -23.9305      1.00000
      9     -22.9203      1.00000
     10     -22.9170      1.00000
     11     -22.9009      1.00000
     12     -22.9006      1.00000
     13     -22.8820      1.00000
     14     -22.8813      1.00000
     15     -19.3857      1.00000
     16     -19.3137      1.00000
     17     -19.1971      1.00000
     18     -19.1716      1.00000
     19     -18.3791      1.00000
     20     -18.2930      1.00000
     21     -18.2171      1.00000
     22     -18.1637      1.00000
     23     -18.0455      1.00000
     24     -18.0208      1.00000
     25     -17.8824      1.00000
     26     -17.8778      1.00000
     27     -14.7350      1.00000
     28     -14.7269      1.00000
     29     -14.1489      1.00000
     30     -14.1378      1.00000
     31     -12.8503      1.00000
     32     -12.8319      1.00000
     33      -8.8431      1.00000
     34      -8.8381      1.00000
     35      -6.1487      1.00000
     36      -6.1424      1.00000
     37      -5.1229      1.00000
     38      -5.0498      1.00000
     39      -4.5058      1.00000
     40      -4.4117      1.00000
     41      -3.8867      1.00000
     42      -3.8232      1.00000
     43      -3.3834      1.00000
     44      -3.3201      1.00000
     45      -3.1986      1.00000
     46      -3.1460      1.00000
     47      -2.7624      1.00000
     48      -2.7428      1.00000
     49      -2.5516      1.00000
     50      -2.5484      1.00000
     51      -1.7284      1.00000
     52      -1.7124      1.00000
     53      -0.6722      0.00000
     54      -0.6096      0.00000
     55       0.2325      0.00000
     56       0.2390      0.00000
     57       1.0427      0.00000
     58       1.0885      0.00000
     59       1.4008      0.00000
     60       1.4377      0.00000
     61       2.0978      0.00000
     62       2.1273      0.00000
     63       2.2916      0.00000
     64       2.3230      0.00000
     65       2.5547      0.00000
     66       2.5811      0.00000
     67       2.8853      0.00000
     68       2.8965      0.00000
     69       3.2420      0.00000
     70       3.2739      0.00000
     71       3.4368      0.00000
     72       3.4490      0.00000

 k-point   163 :       0.1250   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3813      1.00000
      2     -36.3800      1.00000
      3     -36.2648      1.00000
      4     -36.2646      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9322      1.00000
      8     -23.9308      1.00000
      9     -22.9192      1.00000
     10     -22.9150      1.00000
     11     -22.9012      1.00000
     12     -22.9009      1.00000
     13     -22.8835      1.00000
     14     -22.8828      1.00000
     15     -19.3841      1.00000
     16     -19.3063      1.00000
     17     -19.1825      1.00000
     18     -19.1580      1.00000
     19     -18.3786      1.00000
     20     -18.2854      1.00000
     21     -18.2239      1.00000
     22     -18.1470      1.00000
     23     -18.0366      1.00000
     24     -18.0127      1.00000
     25     -17.8896      1.00000
     26     -17.8826      1.00000
     27     -14.7929      1.00000
     28     -14.7840      1.00000
     29     -14.1631      1.00000
     30     -14.1504      1.00000
     31     -12.8581      1.00000
     32     -12.8349      1.00000
     33      -8.7576      1.00000
     34      -8.7520      1.00000
     35      -5.9122      1.00000
     36      -5.9021      1.00000
     37      -5.2855      1.00000
     38      -5.2118      1.00000
     39      -4.4870      1.00000
     40      -4.3769      1.00000
     41      -3.9186      1.00000
     42      -3.8323      1.00000
     43      -3.4959      1.00000
     44      -3.4096      1.00000
     45      -3.2502      1.00000
     46      -3.2147      1.00000
     47      -2.8377      1.00000
     48      -2.8136      1.00000
     49      -2.5796      1.00000
     50      -2.5732      1.00000
     51      -1.3656      0.00026
     52      -1.3390      0.00001
     53      -0.7416      0.00000
     54      -0.6743      0.00000
     55       0.3988      0.00000
     56       0.4069      0.00000
     57       1.2823      0.00000
     58       1.3496      0.00000
     59       1.4334      0.00000
     60       1.4938      0.00000
     61       1.8445      0.00000
     62       1.8941      0.00000
     63       2.2464      0.00000
     64       2.2694      0.00000
     65       2.4853      0.00000
     66       2.5249      0.00000
     67       2.8838      0.00000
     68       2.9041      0.00000
     69       3.1704      0.00000
     70       3.1990      0.00000
     71       3.3561      0.00000
     72       3.3613      0.00000

 k-point   164 :       0.1875   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3820      1.00000
      2     -36.3806      1.00000
      3     -36.2651      1.00000
      4     -36.2648      1.00000
      5     -23.9392      1.00000
      6     -23.9358      1.00000
      7     -23.9328      1.00000
      8     -23.9309      1.00000
      9     -22.9187      1.00000
     10     -22.9140      1.00000
     11     -22.9013      1.00000
     12     -22.9011      1.00000
     13     -22.8842      1.00000
     14     -22.8835      1.00000
     15     -19.3834      1.00000
     16     -19.3037      1.00000
     17     -19.1766      1.00000
     18     -19.1528      1.00000
     19     -18.3781      1.00000
     20     -18.2818      1.00000
     21     -18.2284      1.00000
     22     -18.1413      1.00000
     23     -18.0312      1.00000
     24     -18.0102      1.00000
     25     -17.8936      1.00000
     26     -17.8855      1.00000
     27     -14.8128      1.00000
     28     -14.8037      1.00000
     29     -14.1682      1.00000
     30     -14.1548      1.00000
     31     -12.8607      1.00000
     32     -12.8357      1.00000
     33      -8.7254      1.00000
     34      -8.7195      1.00000
     35      -5.7135      1.00000
     36      -5.6942      1.00000
     37      -5.4896      1.00000
     38      -5.4202      1.00000
     39      -4.3792      1.00000
     40      -4.3132      1.00000
     41      -3.9606      1.00000
     42      -3.9281      1.00000
     43      -3.5441      1.00000
     44      -3.4580      1.00000
     45      -3.2635      1.00000
     46      -3.2477      1.00000
     47      -2.8659      1.00000
     48      -2.8391      1.00000
     49      -2.5881      1.00000
     50      -2.5799      1.00000
     51      -1.1955      0.00000
     52      -1.1644      0.00000
     53      -0.7621      0.00000
     54      -0.6914      0.00000
     55       0.5112      0.00000
     56       0.5213      0.00000
     57       1.1588      0.00000
     58       1.2277      0.00000
     59       1.6273      0.00000
     60       1.6954      0.00000
     61       1.8242      0.00000
     62       1.8558      0.00000
     63       2.1952      0.00000
     64       2.2410      0.00000
     65       2.4046      0.00000
     66       2.4634      0.00000
     67       2.8028      0.00000
     68       2.8324      0.00000
     69       3.2305      0.00000
     70       3.2395      0.00000
     71       3.3302      0.00000
     72       3.3869      0.00000

 k-point   165 :       0.2500   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3813      1.00000
      2     -36.3800      1.00000
      3     -36.2648      1.00000
      4     -36.2646      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9322      1.00000
      8     -23.9308      1.00000
      9     -22.9192      1.00000
     10     -22.9149      1.00000
     11     -22.9012      1.00000
     12     -22.9009      1.00000
     13     -22.8835      1.00000
     14     -22.8828      1.00000
     15     -19.3840      1.00000
     16     -19.3064      1.00000
     17     -19.1825      1.00000
     18     -19.1579      1.00000
     19     -18.3787      1.00000
     20     -18.2852      1.00000
     21     -18.2238      1.00000
     22     -18.1471      1.00000
     23     -18.0366      1.00000
     24     -18.0127      1.00000
     25     -17.8896      1.00000
     26     -17.8826      1.00000
     27     -14.7929      1.00000
     28     -14.7840      1.00000
     29     -14.1631      1.00000
     30     -14.1504      1.00000
     31     -12.8579      1.00000
     32     -12.8351      1.00000
     33      -8.7576      1.00000
     34      -8.7520      1.00000
     35      -5.9122      1.00000
     36      -5.9021      1.00000
     37      -5.2855      1.00000
     38      -5.2118      1.00000
     39      -4.4869      1.00000
     40      -4.3769      1.00000
     41      -3.9184      1.00000
     42      -3.8324      1.00000
     43      -3.4963      1.00000
     44      -3.4094      1.00000
     45      -3.2485      1.00000
     46      -3.2164      1.00000
     47      -2.8380      1.00000
     48      -2.8133      1.00000
     49      -2.5799      1.00000
     50      -2.5728      1.00000
     51      -1.3656      0.00026
     52      -1.3390      0.00001
     53      -0.7442      0.00000
     54      -0.6716      0.00000
     55       0.3985      0.00000
     56       0.4073      0.00000
     57       1.2828      0.00000
     58       1.3497      0.00000
     59       1.4341      0.00000
     60       1.4924      0.00000
     61       1.8392      0.00000
     62       1.9012      0.00000
     63       2.2342      0.00000
     64       2.2807      0.00000
     65       2.4870      0.00000
     66       2.5222      0.00000
     67       2.8808      0.00000
     68       2.9075      0.00000
     69       3.1709      0.00000
     70       3.1986      0.00000
     71       3.3521      0.00000
     72       3.3651      0.00000

 k-point   166 :       0.3125   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3795      1.00000
      2     -36.3782      1.00000
      3     -36.2640      1.00000
      4     -36.2638      1.00000
      5     -23.9394      1.00000
      6     -23.9376      1.00000
      7     -23.9313      1.00000
      8     -23.9305      1.00000
      9     -22.9203      1.00000
     10     -22.9170      1.00000
     11     -22.9009      1.00000
     12     -22.9006      1.00000
     13     -22.8819      1.00000
     14     -22.8813      1.00000
     15     -19.3855      1.00000
     16     -19.3139      1.00000
     17     -19.1972      1.00000
     18     -19.1715      1.00000
     19     -18.3794      1.00000
     20     -18.2927      1.00000
     21     -18.2170      1.00000
     22     -18.1638      1.00000
     23     -18.0455      1.00000
     24     -18.0208      1.00000
     25     -17.8824      1.00000
     26     -17.8778      1.00000
     27     -14.7350      1.00000
     28     -14.7268      1.00000
     29     -14.1489      1.00000
     30     -14.1377      1.00000
     31     -12.8498      1.00000
     32     -12.8323      1.00000
     33      -8.8431      1.00000
     34      -8.8382      1.00000
     35      -6.1487      1.00000
     36      -6.1424      1.00000
     37      -5.1229      1.00000
     38      -5.0498      1.00000
     39      -4.5058      1.00000
     40      -4.4117      1.00000
     41      -3.8864      1.00000
     42      -3.8235      1.00000
     43      -3.3843      1.00000
     44      -3.3188      1.00000
     45      -3.1985      1.00000
     46      -3.1466      1.00000
     47      -2.7634      1.00000
     48      -2.7418      1.00000
     49      -2.5522      1.00000
     50      -2.5478      1.00000
     51      -1.7284      1.00000
     52      -1.7124      1.00000
     53      -0.6777      0.00000
     54      -0.6038      0.00000
     55       0.2322      0.00000
     56       0.2393      0.00000
     57       1.0426      0.00000
     58       1.0887      0.00000
     59       1.4084      0.00000
     60       1.4297      0.00000
     61       2.0983      0.00000
     62       2.1282      0.00000
     63       2.2826      0.00000
     64       2.3325      0.00000
     65       2.5458      0.00000
     66       2.5884      0.00000
     67       2.8812      0.00000
     68       2.8999      0.00000
     69       3.2470      0.00000
     70       3.2694      0.00000
     71       3.4367      0.00000
     72       3.4487      0.00000

 k-point   167 :       0.3750   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3767      1.00000
      2     -36.3754      1.00000
      3     -36.2629      1.00000
      4     -36.2627      1.00000
      5     -23.9396      1.00000
      6     -23.9384      1.00000
      7     -23.9305      1.00000
      8     -23.9303      1.00000
      9     -22.9213      1.00000
     10     -22.9189      1.00000
     11     -22.9006      1.00000
     12     -22.9004      1.00000
     13     -22.8804      1.00000
     14     -22.8798      1.00000
     15     -19.3870      1.00000
     16     -19.3246      1.00000
     17     -19.2140      1.00000
     18     -19.1887      1.00000
     19     -18.3788      1.00000
     20     -18.3031      1.00000
     21     -18.2186      1.00000
     22     -18.1849      1.00000
     23     -18.0520      1.00000
     24     -18.0333      1.00000
     25     -17.8800      1.00000
     26     -17.8780      1.00000
     27     -14.6450      1.00000
     28     -14.6378      1.00000
     29     -14.1283      1.00000
     30     -14.1192      1.00000
     31     -12.8374      1.00000
     32     -12.8252      1.00000
     33      -8.9550      1.00000
     34      -8.9506      1.00000
     35      -6.3256      1.00000
     36      -6.3204      1.00000
     37      -5.1053      1.00000
     38      -5.0650      1.00000
     39      -4.4430      1.00000
     40      -4.4354      1.00000
     41      -3.8914      1.00000
     42      -3.8509      1.00000
     43      -3.3507      1.00000
     44      -3.3280      1.00000
     45      -3.1318      1.00000
     46      -3.1295      1.00000
     47      -2.6877      1.00000
     48      -2.6705      1.00000
     49      -2.5209      1.00000
     50      -2.5178      1.00000
     51      -1.9885      1.00000
     52      -1.9822      1.00000
     53      -0.5453      0.00000
     54      -0.4697      0.00000
     55       0.1163      0.00000
     56       0.1235      0.00000
     57       0.8759      0.00000
     58       0.9142      0.00000
     59       1.3469      0.00000
     60       1.3654      0.00000
     61       2.1814      0.00000
     62       2.1877      0.00000
     63       2.4265      0.00000
     64       2.4343      0.00000
     65       2.6077      0.00000
     66       2.6303      0.00000
     67       2.8318      0.00000
     68       2.8582      0.00000
     69       3.5055      0.00000
     70       3.5103      0.00000
     71       3.5173      0.00000
     72       3.5227      0.00000

 k-point   168 :       0.4375   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3735      1.00000
      2     -36.3722      1.00000
      3     -36.2616      1.00000
      4     -36.2614      1.00000
      5     -23.9398      1.00000
      6     -23.9384      1.00000
      7     -23.9307      1.00000
      8     -23.9298      1.00000
      9     -22.9219      1.00000
     10     -22.9196      1.00000
     11     -22.9009      1.00000
     12     -22.9003      1.00000
     13     -22.8794      1.00000
     14     -22.8789      1.00000
     15     -19.3891      1.00000
     16     -19.3340      1.00000
     17     -19.2271      1.00000
     18     -19.2040      1.00000
     19     -18.3794      1.00000
     20     -18.3163      1.00000
     21     -18.2414      1.00000
     22     -18.1893      1.00000
     23     -18.0665      1.00000
     24     -18.0427      1.00000
     25     -17.8902      1.00000
     26     -17.8829      1.00000
     27     -14.5325      1.00000
     28     -14.5267      1.00000
     29     -14.1059      1.00000
     30     -14.0983      1.00000
     31     -12.8246      1.00000
     32     -12.8109      1.00000
     33      -9.0643      1.00000
     34      -9.0593      1.00000
     35      -6.4268      1.00000
     36      -6.4219      1.00000
     37      -5.1767      1.00000
     38      -5.0958      1.00000
     39      -4.6771      1.00000
     40      -4.5715      1.00000
     41      -3.8995      1.00000
     42      -3.8581      1.00000
     43      -3.4040      1.00000
     44      -3.3304      1.00000
     45      -3.2596      1.00000
     46      -3.1873      1.00000
     47      -2.6439      1.00000
     48      -2.6309      1.00000
     49      -2.5325      1.00000
     50      -2.5237      1.00000
     51      -1.9627      1.00000
     52      -1.9458      1.00000
     53      -0.3463      0.00000
     54      -0.2688      0.00000
     55       0.1020      0.00000
     56       0.1067      0.00000
     57       1.0194      0.00000
     58       1.0529      0.00000
     59       1.2393      0.00000
     60       1.2597      0.00000
     61       2.0823      0.00000
     62       2.1163      0.00000
     63       2.3021      0.00000
     64       2.3930      0.00000
     65       2.6947      0.00000
     66       2.7193      0.00000
     67       3.0064      0.00000
     68       3.0384      0.00000
     69       3.4533      0.00000
     70       3.4787      0.00000
     71       3.6961      0.00000
     72       3.7076      0.00000

 k-point   169 :       0.5000   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9396      1.00000
      6     -23.9378      1.00000
      7     -23.9313      1.00000
      8     -23.9295      1.00000
      9     -22.9214      1.00000
     10     -22.9189      1.00000
     11     -22.9019      1.00000
     12     -22.9005      1.00000
     13     -22.8794      1.00000
     14     -22.8787      1.00000
     15     -19.3934      1.00000
     16     -19.3365      1.00000
     17     -19.2345      1.00000
     18     -19.2139      1.00000
     19     -18.3881      1.00000
     20     -18.3330      1.00000
     21     -18.2651      1.00000
     22     -18.1829      1.00000
     23     -18.0902      1.00000
     24     -18.0489      1.00000
     25     -17.9126      1.00000
     26     -17.8919      1.00000
     27     -14.4115      1.00000
     28     -14.4073      1.00000
     29     -14.0867      1.00000
     30     -14.0794      1.00000
     31     -12.8129      1.00000
     32     -12.7917      1.00000
     33      -9.1503      1.00000
     34      -9.1431      1.00000
     35      -6.4409      1.00000
     36      -6.4352      1.00000
     37      -5.3707      1.00000
     38      -5.2293      1.00000
     39      -4.9799      1.00000
     40      -4.8050      1.00000
     41      -3.9276      1.00000
     42      -3.8597      1.00000
     43      -3.5637      1.00000
     44      -3.4972      1.00000
     45      -3.2791      1.00000
     46      -3.2395      1.00000
     47      -2.6541      1.00000
     48      -2.6435      1.00000
     49      -2.5457      1.00000
     50      -2.5351      1.00000
     51      -1.7537      1.00000
     52      -1.7263      1.00000
     53      -0.1251      0.00000
     54      -0.0519      0.00000
     55       0.2139      0.00000
     56       0.2160      0.00000
     57       1.0897      0.00000
     58       1.1164      0.00000
     59       1.4370      0.00000
     60       1.4702      0.00000
     61       1.8961      0.00000
     62       1.9375      0.00000
     63       2.1951      0.00000
     64       2.3087      0.00000
     65       2.8106      0.00000
     66       2.8609      0.00000
     67       3.2304      0.00000
     68       3.2574      0.00000
     69       3.4048      0.00000
     70       3.4361      0.00000
     71       3.7845      0.00000
     72       3.8072      0.00000

 k-point   170 :      -0.4375   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3675      1.00000
      2     -36.3662      1.00000
      3     -36.2591      1.00000
      4     -36.2590      1.00000
      5     -23.9390      1.00000
      6     -23.9370      1.00000
      7     -23.9324      1.00000
      8     -23.9294      1.00000
      9     -22.9198      1.00000
     10     -22.9172      1.00000
     11     -22.9038      1.00000
     12     -22.9012      1.00000
     13     -22.8800      1.00000
     14     -22.8791      1.00000
     15     -19.3994      1.00000
     16     -19.3318      1.00000
     17     -19.2367      1.00000
     18     -19.2178      1.00000
     19     -18.4051      1.00000
     20     -18.3596      1.00000
     21     -18.2655      1.00000
     22     -18.1789      1.00000
     23     -18.1132      1.00000
     24     -18.0520      1.00000
     25     -17.9433      1.00000
     26     -17.9020      1.00000
     27     -14.2988      1.00000
     28     -14.2963      1.00000
     29     -14.0761      1.00000
     30     -14.0676      1.00000
     31     -12.8026      1.00000
     32     -12.7737      1.00000
     33      -9.2044      1.00000
     34      -9.1943      1.00000
     35      -6.3665      1.00000
     36      -6.3587      1.00000
     37      -5.6590      1.00000
     38      -5.5584      1.00000
     39      -5.1671      1.00000
     40      -5.0508      1.00000
     41      -3.9714      1.00000
     42      -3.8766      1.00000
     43      -3.7131      1.00000
     44      -3.6406      1.00000
     45      -3.2153      1.00000
     46      -3.2029      1.00000
     47      -2.7087      1.00000
     48      -2.7003      1.00000
     49      -2.5598      1.00000
     50      -2.5496      1.00000
     51      -1.5432      0.94028
     52      -1.5153      0.77854
     53       0.0477      0.00000
     54       0.1045      0.00000
     55       0.4390      0.00000
     56       0.4445      0.00000
     57       1.0403      0.00000
     58       1.0750      0.00000
     59       1.6059      0.00000
     60       1.6210      0.00000
     61       1.8139      0.00000
     62       1.8548      0.00000
     63       2.3665      0.00000
     64       2.4567      0.00000
     65       2.8380      0.00000
     66       2.9152      0.00000
     67       3.1752      0.00000
     68       3.1992      0.00000
     69       3.5400      0.00000
     70       3.5769      0.00000
     71       3.9585      0.00000
     72       4.0025      0.00000

 k-point   171 :      -0.3750   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3657      1.00000
      2     -36.3643      1.00000
      3     -36.2584      1.00000
      4     -36.2582      1.00000
      5     -23.9381      1.00000
      6     -23.9364      1.00000
      7     -23.9335      1.00000
      8     -23.9295      1.00000
      9     -22.9174      1.00000
     10     -22.9151      1.00000
     11     -22.9064      1.00000
     12     -22.9021      1.00000
     13     -22.8804      1.00000
     14     -22.8798      1.00000
     15     -19.4040      1.00000
     16     -19.3256      1.00000
     17     -19.2356      1.00000
     18     -19.2182      1.00000
     19     -18.4212      1.00000
     20     -18.3852      1.00000
     21     -18.2510      1.00000
     22     -18.1843      1.00000
     23     -18.1294      1.00000
     24     -18.0438      1.00000
     25     -17.9767      1.00000
     26     -17.9095      1.00000
     27     -14.2132      1.00000
     28     -14.2112      1.00000
     29     -14.0776      1.00000
     30     -14.0666      1.00000
     31     -12.7954      1.00000
     32     -12.7613      1.00000
     33      -9.2301      1.00000
     34      -9.2176      1.00000
     35      -6.2376      1.00000
     36      -6.2287      1.00000
     37      -5.8666      1.00000
     38      -5.8018      1.00000
     39      -5.4016      1.00000
     40      -5.3404      1.00000
     41      -3.9954      1.00000
     42      -3.9204      1.00000
     43      -3.7382      1.00000
     44      -3.6876      1.00000
     45      -3.1124      1.00000
     46      -3.1022      1.00000
     47      -2.7976      1.00000
     48      -2.7933      1.00000
     49      -2.5784      1.00000
     50      -2.5707      1.00000
     51      -1.4150      0.01929
     52      -1.3962      0.00466
     53       0.1458      0.00000
     54       0.1963      0.00000
     55       0.6610      0.00000
     56       0.6742      0.00000
     57       1.0521      0.00000
     58       1.0870      0.00000
     59       1.4756      0.00000
     60       1.5390      0.00000
     61       1.8537      0.00000
     62       1.9074      0.00000
     63       2.6472      0.00000
     64       2.6716      0.00000
     65       2.8463      0.00000
     66       2.8689      0.00000
     67       2.9418      0.00000
     68       3.0478      0.00000
     69       3.6085      0.00000
     70       3.6929      0.00000
     71       4.2503      0.00000
     72       4.2778      0.00000

 k-point   172 :      -0.3125   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3650      1.00000
      2     -36.3637      1.00000
      3     -36.2581      1.00000
      4     -36.2579      1.00000
      5     -23.9374      1.00000
      6     -23.9362      1.00000
      7     -23.9341      1.00000
      8     -23.9295      1.00000
      9     -22.9162      1.00000
     10     -22.9138      1.00000
     11     -22.9081      1.00000
     12     -22.9026      1.00000
     13     -22.8806      1.00000
     14     -22.8802      1.00000
     15     -19.4056      1.00000
     16     -19.3229      1.00000
     17     -19.2345      1.00000
     18     -19.2181      1.00000
     19     -18.4276      1.00000
     20     -18.3953      1.00000
     21     -18.2412      1.00000
     22     -18.1908      1.00000
     23     -18.1355      1.00000
     24     -18.0312      1.00000
     25     -17.9979      1.00000
     26     -17.9122      1.00000
     27     -14.1786      1.00000
     28     -14.1748      1.00000
     29     -14.0838      1.00000
     30     -14.0704      1.00000
     31     -12.7929      1.00000
     32     -12.7568      1.00000
     33      -9.2369      1.00000
     34      -9.2234      1.00000
     35      -6.1799      1.00000
     36      -6.1664      1.00000
     37      -5.8777      1.00000
     38      -5.8537      1.00000
     39      -5.5499      1.00000
     40      -5.5266      1.00000
     41      -3.9992      1.00000
     42      -3.9391      1.00000
     43      -3.7298      1.00000
     44      -3.6968      1.00000
     45      -3.0293      1.00000
     46      -3.0099      1.00000
     47      -2.8806      1.00000
     48      -2.8721      1.00000
     49      -2.5864      1.00000
     50      -2.5809      1.00000
     51      -1.3734      0.00059
     52      -1.3632      0.00021
     53       0.1755      0.00000
     54       0.2271      0.00000
     55       0.7456      0.00000
     56       0.7646      0.00000
     57       1.0719      0.00000
     58       1.1060      0.00000
     59       1.4358      0.00000
     60       1.5203      0.00000
     61       1.8935      0.00000
     62       1.9536      0.00000
     63       2.5740      0.00000
     64       2.6018      0.00000
     65       2.7168      0.00000
     66       2.7532      0.00000
     67       3.1875      0.00000
     68       3.2665      0.00000
     69       3.5253      0.00000
     70       3.5811      0.00000
     71       4.3913      0.00000
     72       4.4132      0.00000

 k-point   173 :      -0.2500   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3657      1.00000
      2     -36.3643      1.00000
      3     -36.2584      1.00000
      4     -36.2582      1.00000
      5     -23.9381      1.00000
      6     -23.9364      1.00000
      7     -23.9335      1.00000
      8     -23.9295      1.00000
      9     -22.9174      1.00000
     10     -22.9151      1.00000
     11     -22.9064      1.00000
     12     -22.9021      1.00000
     13     -22.8804      1.00000
     14     -22.8798      1.00000
     15     -19.4041      1.00000
     16     -19.3255      1.00000
     17     -19.2356      1.00000
     18     -19.2182      1.00000
     19     -18.4212      1.00000
     20     -18.3852      1.00000
     21     -18.2509      1.00000
     22     -18.1844      1.00000
     23     -18.1295      1.00000
     24     -18.0438      1.00000
     25     -17.9767      1.00000
     26     -17.9094      1.00000
     27     -14.2131      1.00000
     28     -14.2113      1.00000
     29     -14.0776      1.00000
     30     -14.0666      1.00000
     31     -12.7955      1.00000
     32     -12.7612      1.00000
     33      -9.2301      1.00000
     34      -9.2176      1.00000
     35      -6.2376      1.00000
     36      -6.2288      1.00000
     37      -5.8666      1.00000
     38      -5.8018      1.00000
     39      -5.4016      1.00000
     40      -5.3404      1.00000
     41      -3.9954      1.00000
     42      -3.9204      1.00000
     43      -3.7382      1.00000
     44      -3.6877      1.00000
     45      -3.1128      1.00000
     46      -3.1019      1.00000
     47      -2.7969      1.00000
     48      -2.7940      1.00000
     49      -2.5777      1.00000
     50      -2.5714      1.00000
     51      -1.4150      0.01932
     52      -1.3962      0.00465
     53       0.1486      0.00000
     54       0.1936      0.00000
     55       0.6617      0.00000
     56       0.6736      0.00000
     57       1.0584      0.00000
     58       1.0808      0.00000
     59       1.4747      0.00000
     60       1.5395      0.00000
     61       1.8567      0.00000
     62       1.9042      0.00000
     63       2.6406      0.00000
     64       2.6785      0.00000
     65       2.8531      0.00000
     66       2.8620      0.00000
     67       2.9400      0.00000
     68       3.0497      0.00000
     69       3.6122      0.00000
     70       3.6888      0.00000
     71       4.2571      0.00000
     72       4.2717      0.00000

 k-point   174 :      -0.1875   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3675      1.00000
      2     -36.3662      1.00000
      3     -36.2591      1.00000
      4     -36.2590      1.00000
      5     -23.9390      1.00000
      6     -23.9370      1.00000
      7     -23.9324      1.00000
      8     -23.9294      1.00000
      9     -22.9198      1.00000
     10     -22.9172      1.00000
     11     -22.9038      1.00000
     12     -22.9012      1.00000
     13     -22.8799      1.00000
     14     -22.8792      1.00000
     15     -19.3996      1.00000
     16     -19.3316      1.00000
     17     -19.2367      1.00000
     18     -19.2178      1.00000
     19     -18.4051      1.00000
     20     -18.3596      1.00000
     21     -18.2653      1.00000
     22     -18.1790      1.00000
     23     -18.1133      1.00000
     24     -18.0520      1.00000
     25     -17.9433      1.00000
     26     -17.9019      1.00000
     27     -14.2987      1.00000
     28     -14.2963      1.00000
     29     -14.0761      1.00000
     30     -14.0676      1.00000
     31     -12.8028      1.00000
     32     -12.7735      1.00000
     33      -9.2044      1.00000
     34      -9.1943      1.00000
     35      -6.3664      1.00000
     36      -6.3588      1.00000
     37      -5.6590      1.00000
     38      -5.5584      1.00000
     39      -5.1671      1.00000
     40      -5.0509      1.00000
     41      -3.9714      1.00000
     42      -3.8766      1.00000
     43      -3.7131      1.00000
     44      -3.6406      1.00000
     45      -3.2149      1.00000
     46      -3.2033      1.00000
     47      -2.7091      1.00000
     48      -2.6999      1.00000
     49      -2.5589      1.00000
     50      -2.5504      1.00000
     51      -1.5432      0.94036
     52      -1.5152      0.77834
     53       0.0558      0.00000
     54       0.0965      0.00000
     55       0.4369      0.00000
     56       0.4464      0.00000
     57       1.0546      0.00000
     58       1.0602      0.00000
     59       1.6057      0.00000
     60       1.6212      0.00000
     61       1.8190      0.00000
     62       1.8499      0.00000
     63       2.3633      0.00000
     64       2.4609      0.00000
     65       2.8295      0.00000
     66       2.9232      0.00000
     67       3.1805      0.00000
     68       3.1936      0.00000
     69       3.5429      0.00000
     70       3.5742      0.00000
     71       3.9664      0.00000
     72       3.9895      0.00000

 k-point   175 :      -0.1250   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9396      1.00000
      6     -23.9378      1.00000
      7     -23.9313      1.00000
      8     -23.9295      1.00000
      9     -22.9214      1.00000
     10     -22.9189      1.00000
     11     -22.9019      1.00000
     12     -22.9005      1.00000
     13     -22.8794      1.00000
     14     -22.8787      1.00000
     15     -19.3938      1.00000
     16     -19.3361      1.00000
     17     -19.2345      1.00000
     18     -19.2139      1.00000
     19     -18.3878      1.00000
     20     -18.3332      1.00000
     21     -18.2649      1.00000
     22     -18.1830      1.00000
     23     -18.0902      1.00000
     24     -18.0490      1.00000
     25     -17.9126      1.00000
     26     -17.8918      1.00000
     27     -14.4115      1.00000
     28     -14.4073      1.00000
     29     -14.0867      1.00000
     30     -14.0794      1.00000
     31     -12.8133      1.00000
     32     -12.7912      1.00000
     33      -9.1503      1.00000
     34      -9.1431      1.00000
     35      -6.4409      1.00000
     36      -6.4353      1.00000
     37      -5.3707      1.00000
     38      -5.2293      1.00000
     39      -4.9798      1.00000
     40      -4.8050      1.00000
     41      -3.9275      1.00000
     42      -3.8598      1.00000
     43      -3.5638      1.00000
     44      -3.4972      1.00000
     45      -3.2784      1.00000
     46      -3.2402      1.00000
     47      -2.6548      1.00000
     48      -2.6428      1.00000
     49      -2.5450      1.00000
     50      -2.5358      1.00000
     51      -1.7537      1.00000
     52      -1.7262      1.00000
     53      -0.1136      0.00000
     54      -0.0635      0.00000
     55       0.2121      0.00000
     56       0.2179      0.00000
     57       1.0943      0.00000
     58       1.1110      0.00000
     59       1.4385      0.00000
     60       1.4692      0.00000
     61       1.8961      0.00000
     62       1.9386      0.00000
     63       2.1917      0.00000
     64       2.3114      0.00000
     65       2.8049      0.00000
     66       2.8662      0.00000
     67       3.2363      0.00000
     68       3.2515      0.00000
     69       3.4114      0.00000
     70       3.4295      0.00000
     71       3.7843      0.00000
     72       3.8074      0.00000

 k-point   176 :      -0.0625   -0.3750    0.0000
  band No.  band energies     occupation 
      1     -36.3735      1.00000
      2     -36.3722      1.00000
      3     -36.2616      1.00000
      4     -36.2614      1.00000
      5     -23.9398      1.00000
      6     -23.9384      1.00000
      7     -23.9307      1.00000
      8     -23.9298      1.00000
      9     -22.9218      1.00000
     10     -22.9196      1.00000
     11     -22.9009      1.00000
     12     -22.9003      1.00000
     13     -22.8794      1.00000
     14     -22.8789      1.00000
     15     -19.3895      1.00000
     16     -19.3336      1.00000
     17     -19.2271      1.00000
     18     -19.2041      1.00000
     19     -18.3790      1.00000
     20     -18.3167      1.00000
     21     -18.2412      1.00000
     22     -18.1895      1.00000
     23     -18.0664      1.00000
     24     -18.0429      1.00000
     25     -17.8903      1.00000
     26     -17.8828      1.00000
     27     -14.5325      1.00000
     28     -14.5268      1.00000
     29     -14.1058      1.00000
     30     -14.0983      1.00000
     31     -12.8253      1.00000
     32     -12.8101      1.00000
     33      -9.0643      1.00000
     34      -9.0593      1.00000
     35      -6.4268      1.00000
     36      -6.4219      1.00000
     37      -5.1767      1.00000
     38      -5.0958      1.00000
     39      -4.6770      1.00000
     40      -4.5715      1.00000
     41      -3.8994      1.00000
     42      -3.8582      1.00000
     43      -3.4047      1.00000
     44      -3.3296      1.00000
     45      -3.2594      1.00000
     46      -3.1877      1.00000
     47      -2.6440      1.00000
     48      -2.6308      1.00000
     49      -2.5323      1.00000
     50      -2.5240      1.00000
     51      -1.9627      1.00000
     52      -1.9458      1.00000
     53      -0.3352      0.00000
     54      -0.2801      0.00000
     55       0.1024      0.00000
     56       0.1063      0.00000
     57       1.0210      0.00000
     58       1.0512      0.00000
     59       1.2300      0.00000
     60       1.2691      0.00000
     61       2.0839      0.00000
     62       2.1152      0.00000
     63       2.3008      0.00000
     64       2.3943      0.00000
     65       2.6914      0.00000
     66       2.7222      0.00000
     67       3.0135      0.00000
     68       3.0312      0.00000
     69       3.4603      0.00000
     70       3.4719      0.00000
     71       3.6927      0.00000
     72       3.7111      0.00000

 k-point   177 :       0.0000   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3839      1.00000
      2     -36.3826      1.00000
      3     -36.2659      1.00000
      4     -36.2657      1.00000
      5     -23.9390      1.00000
      6     -23.9377      1.00000
      7     -23.9314      1.00000
      8     -23.9309      1.00000
      9     -22.9192      1.00000
     10     -22.9159      1.00000
     11     -22.9008      1.00000
     12     -22.9006      1.00000
     13     -22.8834      1.00000
     14     -22.8827      1.00000
     15     -19.3814      1.00000
     16     -19.3086      1.00000
     17     -19.1718      1.00000
     18     -19.1503      1.00000
     19     -18.3758      1.00000
     20     -18.2867      1.00000
     21     -18.1823      1.00000
     22     -18.1476      1.00000
     23     -18.0301      1.00000
     24     -18.0022      1.00000
     25     -17.8747      1.00000
     26     -17.8704      1.00000
     27     -14.8622      1.00000
     28     -14.8533      1.00000
     29     -14.1935      1.00000
     30     -14.1811      1.00000
     31     -12.8689      1.00000
     32     -12.8510      1.00000
     33      -8.7154      1.00000
     34      -8.7119      1.00000
     35      -5.9805      1.00000
     36      -5.9766      1.00000
     37      -4.9844      1.00000
     38      -4.9283      1.00000
     39      -4.2805      1.00000
     40      -4.2628      1.00000
     41      -3.9030      1.00000
     42      -3.8421      1.00000
     43      -3.3364      1.00000
     44      -3.3209      1.00000
     45      -3.0704      1.00000
     46      -3.0697      1.00000
     47      -2.8068      1.00000
     48      -2.7799      1.00000
     49      -2.5500      1.00000
     50      -2.5475      1.00000
     51      -1.6981      1.00000
     52      -1.6933      1.00000
     53      -0.8687      0.00000
     54      -0.8141      0.00000
     55       0.2914      0.00000
     56       0.2978      0.00000
     57       0.9017      0.00000
     58       0.9489      0.00000
     59       1.4894      0.00000
     60       1.5149      0.00000
     61       2.1873      0.00000
     62       2.2019      0.00000
     63       2.2999      0.00000
     64       2.3364      0.00000
     65       2.4112      0.00000
     66       2.4403      0.00000
     67       2.8435      0.00000
     68       2.8529      0.00000
     69       3.1617      0.00000
     70       3.1720      0.00000
     71       3.2036      0.00000
     72       3.2132      0.00000

 k-point   178 :       0.0625   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3872      1.00000
      2     -36.3859      1.00000
      3     -36.2673      1.00000
      4     -36.2671      1.00000
      5     -23.9389      1.00000
      6     -23.9371      1.00000
      7     -23.9320      1.00000
      8     -23.9311      1.00000
      9     -22.9182      1.00000
     10     -22.9142      1.00000
     11     -22.9009      1.00000
     12     -22.9006      1.00000
     13     -22.8850      1.00000
     14     -22.8843      1.00000
     15     -19.3778      1.00000
     16     -19.3049      1.00000
     17     -19.1488      1.00000
     18     -19.1315      1.00000
     19     -18.3720      1.00000
     20     -18.2829      1.00000
     21     -18.1676      1.00000
     22     -18.1255      1.00000
     23     -18.0159      1.00000
     24     -17.9854      1.00000
     25     -17.8757      1.00000
     26     -17.8701      1.00000
     27     -14.9534      1.00000
     28     -14.9440      1.00000
     29     -14.2289      1.00000
     30     -14.2153      1.00000
     31     -12.8836      1.00000
     32     -12.8634      1.00000
     33      -8.6154      1.00000
     34      -8.6123      1.00000
     35      -5.7458      1.00000
     36      -5.7401      1.00000
     37      -4.9659      1.00000
     38      -4.8901      1.00000
     39      -4.2882      1.00000
     40      -4.1715      1.00000
     41      -3.8898      1.00000
     42      -3.8000      1.00000
     43      -3.3637      1.00000
     44      -3.3407      1.00000
     45      -3.1449      1.00000
     46      -3.1349      1.00000
     47      -2.8465      1.00000
     48      -2.8131      1.00000
     49      -2.5823      1.00000
     50      -2.5789      1.00000
     51      -1.4339      0.06234
     52      -1.4172      0.02236
     53      -0.9925      0.00000
     54      -0.9338      0.00000
     55       0.4244      0.00000
     56       0.4320      0.00000
     57       1.0611      0.00000
     58       1.1000      0.00000
     59       1.5032      0.00000
     60       1.5262      0.00000
     61       1.9417      0.00000
     62       1.9805      0.00000
     63       2.1666      0.00000
     64       2.2251      0.00000
     65       2.3953      0.00000
     66       2.4614      0.00000
     67       2.8118      0.00000
     68       2.8364      0.00000
     69       3.0112      0.00000
     70       3.0393      0.00000
     71       3.0976      0.00000
     72       3.1097      0.00000

 k-point   179 :       0.1250   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3890      1.00000
      2     -36.3877      1.00000
      3     -36.2681      1.00000
      4     -36.2679      1.00000
      5     -23.9389      1.00000
      6     -23.9363      1.00000
      7     -23.9327      1.00000
      8     -23.9313      1.00000
      9     -22.9175      1.00000
     10     -22.9129      1.00000
     11     -22.9011      1.00000
     12     -22.9004      1.00000
     13     -22.8862      1.00000
     14     -22.8855      1.00000
     15     -19.3758      1.00000
     16     -19.3030      1.00000
     17     -19.1350      1.00000
     18     -19.1203      1.00000
     19     -18.3689      1.00000
     20     -18.2810      1.00000
     21     -18.1646      1.00000
     22     -18.1118      1.00000
     23     -18.0041      1.00000
     24     -17.9742      1.00000
     25     -17.8797      1.00000
     26     -17.8736      1.00000
     27     -15.0009      1.00000
     28     -14.9913      1.00000
     29     -14.2484      1.00000
     30     -14.2341      1.00000
     31     -12.8917      1.00000
     32     -12.8694      1.00000
     33      -8.5607      1.00000
     34      -8.5575      1.00000
     35      -5.4620      1.00000
     36      -5.4484      1.00000
     37      -5.1526      1.00000
     38      -5.0814      1.00000
     39      -4.2251      1.00000
     40      -4.1167      1.00000
     41      -3.7809      1.00000
     42      -3.7075      1.00000
     43      -3.4503      1.00000
     44      -3.3770      1.00000
     45      -3.3255      1.00000
     46      -3.3092      1.00000
     47      -2.8573      1.00000
     48      -2.8203      1.00000
     49      -2.6104      1.00000
     50      -2.6037      1.00000
     51      -1.1676      0.00000
     52      -1.1364      0.00000
     53      -1.0392      0.00000
     54      -0.9786      0.00000
     55       0.5796      0.00000
     56       0.5952      0.00000
     57       1.3159      0.00000
     58       1.3471      0.00000
     59       1.4635      0.00000
     60       1.5592      0.00000
     61       1.6677      0.00000
     62       1.7104      0.00000
     63       1.9968      0.00000
     64       2.0155      0.00000
     65       2.3839      0.00000
     66       2.4384      0.00000
     67       2.6734      0.00000
     68       2.6966      0.00000
     69       2.9941      0.00000
     70       3.0085      0.00000
     71       3.1309      0.00000
     72       3.1936      0.00000

 k-point   180 :       0.1875   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3890      1.00000
      2     -36.3877      1.00000
      3     -36.2681      1.00000
      4     -36.2679      1.00000
      5     -23.9389      1.00000
      6     -23.9363      1.00000
      7     -23.9327      1.00000
      8     -23.9313      1.00000
      9     -22.9175      1.00000
     10     -22.9129      1.00000
     11     -22.9011      1.00000
     12     -22.9004      1.00000
     13     -22.8862      1.00000
     14     -22.8855      1.00000
     15     -19.3757      1.00000
     16     -19.3031      1.00000
     17     -19.1350      1.00000
     18     -19.1203      1.00000
     19     -18.3690      1.00000
     20     -18.2809      1.00000
     21     -18.1645      1.00000
     22     -18.1118      1.00000
     23     -18.0041      1.00000
     24     -17.9742      1.00000
     25     -17.8797      1.00000
     26     -17.8737      1.00000
     27     -15.0009      1.00000
     28     -14.9913      1.00000
     29     -14.2484      1.00000
     30     -14.2341      1.00000
     31     -12.8915      1.00000
     32     -12.8696      1.00000
     33      -8.5607      1.00000
     34      -8.5575      1.00000
     35      -5.4620      1.00000
     36      -5.4485      1.00000
     37      -5.1525      1.00000
     38      -5.0814      1.00000
     39      -4.2251      1.00000
     40      -4.1167      1.00000
     41      -3.7808      1.00000
     42      -3.7076      1.00000
     43      -3.4508      1.00000
     44      -3.3762      1.00000
     45      -3.3239      1.00000
     46      -3.3112      1.00000
     47      -2.8572      1.00000
     48      -2.8203      1.00000
     49      -2.6107      1.00000
     50      -2.6034      1.00000
     51      -1.1670      0.00000
     52      -1.1373      0.00000
     53      -1.0402      0.00000
     54      -0.9774      0.00000
     55       0.5794      0.00000
     56       0.5954      0.00000
     57       1.3180      0.00000
     58       1.3457      0.00000
     59       1.4608      0.00000
     60       1.5602      0.00000
     61       1.6696      0.00000
     62       1.7107      0.00000
     63       1.9878      0.00000
     64       2.0232      0.00000
     65       2.3862      0.00000
     66       2.4363      0.00000
     67       2.6702      0.00000
     68       2.6999      0.00000
     69       2.9904      0.00000
     70       3.0122      0.00000
     71       3.1304      0.00000
     72       3.1938      0.00000

 k-point   181 :       0.2500   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3872      1.00000
      2     -36.3859      1.00000
      3     -36.2673      1.00000
      4     -36.2671      1.00000
      5     -23.9389      1.00000
      6     -23.9371      1.00000
      7     -23.9320      1.00000
      8     -23.9311      1.00000
      9     -22.9182      1.00000
     10     -22.9142      1.00000
     11     -22.9009      1.00000
     12     -22.9005      1.00000
     13     -22.8850      1.00000
     14     -22.8843      1.00000
     15     -19.3776      1.00000
     16     -19.3051      1.00000
     17     -19.1488      1.00000
     18     -19.1314      1.00000
     19     -18.3723      1.00000
     20     -18.2826      1.00000
     21     -18.1675      1.00000
     22     -18.1255      1.00000
     23     -18.0159      1.00000
     24     -17.9853      1.00000
     25     -17.8756      1.00000
     26     -17.8702      1.00000
     27     -14.9534      1.00000
     28     -14.9440      1.00000
     29     -14.2289      1.00000
     30     -14.2153      1.00000
     31     -12.8832      1.00000
     32     -12.8639      1.00000
     33      -8.6154      1.00000
     34      -8.6123      1.00000
     35      -5.7457      1.00000
     36      -5.7401      1.00000
     37      -4.9659      1.00000
     38      -4.8901      1.00000
     39      -4.2882      1.00000
     40      -4.1716      1.00000
     41      -3.8896      1.00000
     42      -3.8002      1.00000
     43      -3.3653      1.00000
     44      -3.3386      1.00000
     45      -3.1452      1.00000
     46      -3.1351      1.00000
     47      -2.8466      1.00000
     48      -2.8130      1.00000
     49      -2.5829      1.00000
     50      -2.5784      1.00000
     51      -1.4337      0.06193
     52      -1.4173      0.02253
     53      -0.9968      0.00000
     54      -0.9294      0.00000
     55       0.4242      0.00000
     56       0.4322      0.00000
     57       1.0610      0.00000
     58       1.1003      0.00000
     59       1.5071      0.00000
     60       1.5218      0.00000
     61       1.9412      0.00000
     62       1.9831      0.00000
     63       2.1594      0.00000
     64       2.2308      0.00000
     65       2.3983      0.00000
     66       2.4580      0.00000
     67       2.8071      0.00000
     68       2.8414      0.00000
     69       3.0131      0.00000
     70       3.0369      0.00000
     71       3.0943      0.00000
     72       3.1132      0.00000

 k-point   182 :       0.3125   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3839      1.00000
      2     -36.3826      1.00000
      3     -36.2659      1.00000
      4     -36.2657      1.00000
      5     -23.9390      1.00000
      6     -23.9377      1.00000
      7     -23.9313      1.00000
      8     -23.9309      1.00000
      9     -22.9192      1.00000
     10     -22.9159      1.00000
     11     -22.9007      1.00000
     12     -22.9006      1.00000
     13     -22.8834      1.00000
     14     -22.8827      1.00000
     15     -19.3810      1.00000
     16     -19.3090      1.00000
     17     -19.1719      1.00000
     18     -19.1503      1.00000
     19     -18.3762      1.00000
     20     -18.2863      1.00000
     21     -18.1822      1.00000
     22     -18.1476      1.00000
     23     -18.0301      1.00000
     24     -18.0022      1.00000
     25     -17.8747      1.00000
     26     -17.8704      1.00000
     27     -14.8622      1.00000
     28     -14.8533      1.00000
     29     -14.1935      1.00000
     30     -14.1811      1.00000
     31     -12.8681      1.00000
     32     -12.8517      1.00000
     33      -8.7154      1.00000
     34      -8.7119      1.00000
     35      -5.9805      1.00000
     36      -5.9766      1.00000
     37      -4.9844      1.00000
     38      -4.9283      1.00000
     39      -4.2805      1.00000
     40      -4.2628      1.00000
     41      -3.9029      1.00000
     42      -3.8423      1.00000
     43      -3.3351      1.00000
     44      -3.3221      1.00000
     45      -3.0704      1.00000
     46      -3.0697      1.00000
     47      -2.8076      1.00000
     48      -2.7791      1.00000
     49      -2.5504      1.00000
     50      -2.5471      1.00000
     51      -1.6981      1.00000
     52      -1.6933      1.00000
     53      -0.8768      0.00000
     54      -0.8059      0.00000
     55       0.2910      0.00000
     56       0.2983      0.00000
     57       0.9016      0.00000
     58       0.9490      0.00000
     59       1.4975      0.00000
     60       1.5067      0.00000
     61       2.1915      0.00000
     62       2.1979      0.00000
     63       2.2967      0.00000
     64       2.3393      0.00000
     65       2.4122      0.00000
     66       2.4393      0.00000
     67       2.8424      0.00000
     68       2.8541      0.00000
     69       3.1606      0.00000
     70       3.1731      0.00000
     71       3.2047      0.00000
     72       3.2118      0.00000

 k-point   183 :       0.3750   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3795      1.00000
      2     -36.3782      1.00000
      3     -36.2640      1.00000
      4     -36.2638      1.00000
      5     -23.9394      1.00000
      6     -23.9376      1.00000
      7     -23.9313      1.00000
      8     -23.9305      1.00000
      9     -22.9203      1.00000
     10     -22.9170      1.00000
     11     -22.9009      1.00000
     12     -22.9006      1.00000
     13     -22.8819      1.00000
     14     -22.8813      1.00000
     15     -19.3854      1.00000
     16     -19.3139      1.00000
     17     -19.1972      1.00000
     18     -19.1715      1.00000
     19     -18.3794      1.00000
     20     -18.2927      1.00000
     21     -18.2171      1.00000
     22     -18.1637      1.00000
     23     -18.0455      1.00000
     24     -18.0208      1.00000
     25     -17.8824      1.00000
     26     -17.8778      1.00000
     27     -14.7350      1.00000
     28     -14.7268      1.00000
     29     -14.1489      1.00000
     30     -14.1378      1.00000
     31     -12.8495      1.00000
     32     -12.8326      1.00000
     33      -8.8431      1.00000
     34      -8.8382      1.00000
     35      -6.1487      1.00000
     36      -6.1424      1.00000
     37      -5.1229      1.00000
     38      -5.0498      1.00000
     39      -4.5058      1.00000
     40      -4.4116      1.00000
     41      -3.8866      1.00000
     42      -3.8234      1.00000
     43      -3.3836      1.00000
     44      -3.3197      1.00000
     45      -3.1987      1.00000
     46      -3.1462      1.00000
     47      -2.7633      1.00000
     48      -2.7420      1.00000
     49      -2.5521      1.00000
     50      -2.5480      1.00000
     51      -1.7285      1.00000
     52      -1.7123      1.00000
     53      -0.6791      0.00000
     54      -0.6025      0.00000
     55       0.2320      0.00000
     56       0.2394      0.00000
     57       1.0425      0.00000
     58       1.0887      0.00000
     59       1.4078      0.00000
     60       1.4304      0.00000
     61       2.0980      0.00000
     62       2.1278      0.00000
     63       2.2861      0.00000
     64       2.3287      0.00000
     65       2.5489      0.00000
     66       2.5860      0.00000
     67       2.8827      0.00000
     68       2.8989      0.00000
     69       3.2445      0.00000
     70       3.2715      0.00000
     71       3.4362      0.00000
     72       3.4494      0.00000

 k-point   184 :       0.4375   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3747      1.00000
      2     -36.3734      1.00000
      3     -36.2621      1.00000
      4     -36.2619      1.00000
      5     -23.9395      1.00000
      6     -23.9371      1.00000
      7     -23.9317      1.00000
      8     -23.9301      1.00000
      9     -22.9206      1.00000
     10     -22.9172      1.00000
     11     -22.9016      1.00000
     12     -22.9007      1.00000
     13     -22.8811      1.00000
     14     -22.8804      1.00000
     15     -19.3906      1.00000
     16     -19.3186      1.00000
     17     -19.2181      1.00000
     18     -19.1905      1.00000
     19     -18.3853      1.00000
     20     -18.3046      1.00000
     21     -18.2572      1.00000
     22     -18.1707      1.00000
     23     -18.0671      1.00000
     24     -18.0376      1.00000
     25     -17.9026      1.00000
     26     -17.8880      1.00000
     27     -14.5842      1.00000
     28     -14.5772      1.00000
     29     -14.1045      1.00000
     30     -14.0945      1.00000
     31     -12.8305      1.00000
     32     -12.8088      1.00000
     33      -8.9767      1.00000
     34      -8.9698      1.00000
     35      -6.2421      1.00000
     36      -6.2346      1.00000
     37      -5.3446      1.00000
     38      -5.2474      1.00000
     39      -4.7750      1.00000
     40      -4.6444      1.00000
     41      -3.9440      1.00000
     42      -3.8693      1.00000
     43      -3.5219      1.00000
     44      -3.4381      1.00000
     45      -3.2545      1.00000
     46      -3.2058      1.00000
     47      -2.7501      1.00000
     48      -2.7380      1.00000
     49      -2.5568      1.00000
     50      -2.5506      1.00000
     51      -1.5881      0.99766
     52      -1.5612      0.98054
     53      -0.4219      0.00000
     54      -0.3393      0.00000
     55       0.2751      0.00000
     56       0.2794      0.00000
     57       1.2004      0.00000
     58       1.2351      0.00000
     59       1.4440      0.00000
     60       1.4874      0.00000
     61       1.8798      0.00000
     62       1.9337      0.00000
     63       2.3096      0.00000
     64       2.3726      0.00000
     65       2.6938      0.00000
     66       2.7279      0.00000
     67       3.0574      0.00000
     68       3.0743      0.00000
     69       3.2456      0.00000
     70       3.2701      0.00000
     71       3.6763      0.00000
     72       3.6903      0.00000

 k-point   185 :       0.5000   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2601      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9325      1.00000
      8     -23.9298      1.00000
      9     -22.9198      1.00000
     10     -22.9165      1.00000
     11     -22.9032      1.00000
     12     -22.9011      1.00000
     13     -22.8807      1.00000
     14     -22.8800      1.00000
     15     -19.3966      1.00000
     16     -19.3215      1.00000
     17     -19.2308      1.00000
     18     -19.2044      1.00000
     19     -18.3985      1.00000
     20     -18.3359      1.00000
     21     -18.2702      1.00000
     22     -18.1732      1.00000
     23     -18.0938      1.00000
     24     -18.0487      1.00000
     25     -17.9319      1.00000
     26     -17.8987      1.00000
     27     -14.4269      1.00000
     28     -14.4215      1.00000
     29     -14.0718      1.00000
     30     -14.0623      1.00000
     31     -12.8131      1.00000
     32     -12.7852      1.00000
     33      -9.0968      1.00000
     34      -9.0874      1.00000
     35      -6.2543      1.00000
     36      -6.2458      1.00000
     37      -5.6400      1.00000
     38      -5.5622      1.00000
     39      -4.9822      1.00000
     40      -4.8893      1.00000
     41      -4.0627      1.00000
     42      -3.9970      1.00000
     43      -3.5969      1.00000
     44      -3.5408      1.00000
     45      -3.2059      1.00000
     46      -3.1870      1.00000
     47      -2.7739      1.00000
     48      -2.7699      1.00000
     49      -2.5573      1.00000
     50      -2.5503      1.00000
     51      -1.4500      0.14017
     52      -1.4206      0.02811
     53      -0.1554      0.00000
     54      -0.0733      0.00000
     55       0.4343      0.00000
     56       0.4377      0.00000
     57       1.0580      0.00000
     58       1.0932      0.00000
     59       1.5557      0.00000
     60       1.6054      0.00000
     61       1.9043      0.00000
     62       1.9554      0.00000
     63       2.4295      0.00000
     64       2.4908      0.00000
     65       2.7463      0.00000
     66       2.8034      0.00000
     67       3.1723      0.00000
     68       3.2062      0.00000
     69       3.3962      0.00000
     70       3.4236      0.00000
     71       3.7786      0.00000
     72       3.8081      0.00000

 k-point   186 :      -0.4375   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3669      1.00000
      2     -36.3655      1.00000
      3     -36.2589      1.00000
      4     -36.2587      1.00000
      5     -23.9384      1.00000
      6     -23.9361      1.00000
      7     -23.9334      1.00000
      8     -23.9296      1.00000
      9     -22.9180      1.00000
     10     -22.9152      1.00000
     11     -22.9056      1.00000
     12     -22.9019      1.00000
     13     -22.8807      1.00000
     14     -22.8800      1.00000
     15     -19.4021      1.00000
     16     -19.3227      1.00000
     17     -19.2351      1.00000
     18     -19.2133      1.00000
     19     -18.4157      1.00000
     20     -18.3731      1.00000
     21     -18.2583      1.00000
     22     -18.1792      1.00000
     23     -18.1195      1.00000
     24     -18.0472      1.00000
     25     -17.9655      1.00000
     26     -17.9074      1.00000
     27     -14.2833      1.00000
     28     -14.2801      1.00000
     29     -14.0623      1.00000
     30     -14.0525      1.00000
     31     -12.7999      1.00000
     32     -12.7669      1.00000
     33      -9.1877      1.00000
     34      -9.1757      1.00000
     35      -6.1980      1.00000
     36      -6.1876      1.00000
     37      -5.8801      1.00000
     38      -5.8264      1.00000
     39      -5.2541      1.00000
     40      -5.2108      1.00000
     41      -4.0686      1.00000
     42      -4.0136      1.00000
     43      -3.6578      1.00000
     44      -3.6199      1.00000
     45      -3.1156      1.00000
     46      -3.1049      1.00000
     47      -2.8222      1.00000
     48      -2.8205      1.00000
     49      -2.5701      1.00000
     50      -2.5625      1.00000
     51      -1.3869      0.00209
     52      -1.3645      0.00023
     53       0.0563      0.00000
     54       0.1257      0.00000
     55       0.6561      0.00000
     56       0.6618      0.00000
     57       1.0064      0.00000
     58       1.0295      0.00000
     59       1.4555      0.00000
     60       1.4811      0.00000
     61       1.9727      0.00000
     62       2.0007      0.00000
     63       2.6058      0.00000
     64       2.6319      0.00000
     65       2.8499      0.00000
     66       2.9101      0.00000
     67       3.0178      0.00000
     68       3.0705      0.00000
     69       3.5165      0.00000
     70       3.5851      0.00000
     71       4.0384      0.00000
     72       4.0777      0.00000

 k-point   187 :      -0.3750   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3650      1.00000
      2     -36.3637      1.00000
      3     -36.2581      1.00000
      4     -36.2579      1.00000
      5     -23.9374      1.00000
      6     -23.9363      1.00000
      7     -23.9340      1.00000
      8     -23.9295      1.00000
      9     -22.9162      1.00000
     10     -22.9138      1.00000
     11     -22.9081      1.00000
     12     -22.9026      1.00000
     13     -22.8806      1.00000
     14     -22.8801      1.00000
     15     -19.4055      1.00000
     16     -19.3230      1.00000
     17     -19.2345      1.00000
     18     -19.2181      1.00000
     19     -18.4276      1.00000
     20     -18.3954      1.00000
     21     -18.2413      1.00000
     22     -18.1906      1.00000
     23     -18.1354      1.00000
     24     -18.0312      1.00000
     25     -17.9978      1.00000
     26     -17.9122      1.00000
     27     -14.1787      1.00000
     28     -14.1747      1.00000
     29     -14.0838      1.00000
     30     -14.0703      1.00000
     31     -12.7929      1.00000
     32     -12.7569      1.00000
     33      -9.2369      1.00000
     34      -9.2234      1.00000
     35      -6.1798      1.00000
     36      -6.1664      1.00000
     37      -5.8777      1.00000
     38      -5.8537      1.00000
     39      -5.5500      1.00000
     40      -5.5265      1.00000
     41      -3.9992      1.00000
     42      -3.9391      1.00000
     43      -3.7299      1.00000
     44      -3.6967      1.00000
     45      -3.0290      1.00000
     46      -3.0101      1.00000
     47      -2.8808      1.00000
     48      -2.8719      1.00000
     49      -2.5871      1.00000
     50      -2.5802      1.00000
     51      -1.3733      0.00058
     52      -1.3634      0.00021
     53       0.1716      0.00000
     54       0.2308      0.00000
     55       0.7468      0.00000
     56       0.7634      0.00000
     57       1.0712      0.00000
     58       1.1067      0.00000
     59       1.4370      0.00000
     60       1.5195      0.00000
     61       1.8925      0.00000
     62       1.9547      0.00000
     63       2.5807      0.00000
     64       2.5946      0.00000
     65       2.7163      0.00000
     66       2.7537      0.00000
     67       3.1885      0.00000
     68       3.2657      0.00000
     69       3.5218      0.00000
     70       3.5845      0.00000
     71       4.3860      0.00000
     72       4.4176      0.00000

 k-point   188 :      -0.3125   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3650      1.00000
      2     -36.3637      1.00000
      3     -36.2581      1.00000
      4     -36.2579      1.00000
      5     -23.9374      1.00000
      6     -23.9363      1.00000
      7     -23.9341      1.00000
      8     -23.9295      1.00000
      9     -22.9162      1.00000
     10     -22.9138      1.00000
     11     -22.9081      1.00000
     12     -22.9026      1.00000
     13     -22.8806      1.00000
     14     -22.8802      1.00000
     15     -19.4056      1.00000
     16     -19.3229      1.00000
     17     -19.2345      1.00000
     18     -19.2181      1.00000
     19     -18.4276      1.00000
     20     -18.3954      1.00000
     21     -18.2412      1.00000
     22     -18.1908      1.00000
     23     -18.1354      1.00000
     24     -18.0312      1.00000
     25     -17.9979      1.00000
     26     -17.9122      1.00000
     27     -14.1787      1.00000
     28     -14.1748      1.00000
     29     -14.0838      1.00000
     30     -14.0703      1.00000
     31     -12.7929      1.00000
     32     -12.7568      1.00000
     33      -9.2369      1.00000
     34      -9.2234      1.00000
     35      -6.1798      1.00000
     36      -6.1664      1.00000
     37      -5.8777      1.00000
     38      -5.8537      1.00000
     39      -5.5500      1.00000
     40      -5.5266      1.00000
     41      -3.9992      1.00000
     42      -3.9391      1.00000
     43      -3.7299      1.00000
     44      -3.6967      1.00000
     45      -3.0293      1.00000
     46      -3.0099      1.00000
     47      -2.8806      1.00000
     48      -2.8721      1.00000
     49      -2.5864      1.00000
     50      -2.5809      1.00000
     51      -1.3733      0.00058
     52      -1.3633      0.00021
     53       0.1749      0.00000
     54       0.2276      0.00000
     55       0.7457      0.00000
     56       0.7645      0.00000
     57       1.0719      0.00000
     58       1.1061      0.00000
     59       1.4360      0.00000
     60       1.5202      0.00000
     61       1.8934      0.00000
     62       1.9537      0.00000
     63       2.5747      0.00000
     64       2.6010      0.00000
     65       2.7167      0.00000
     66       2.7533      0.00000
     67       3.1876      0.00000
     68       3.2664      0.00000
     69       3.5248      0.00000
     70       3.5816      0.00000
     71       4.3904      0.00000
     72       4.4139      0.00000

 k-point   189 :      -0.2500   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3669      1.00000
      2     -36.3655      1.00000
      3     -36.2589      1.00000
      4     -36.2587      1.00000
      5     -23.9384      1.00000
      6     -23.9361      1.00000
      7     -23.9334      1.00000
      8     -23.9296      1.00000
      9     -22.9180      1.00000
     10     -22.9152      1.00000
     11     -22.9056      1.00000
     12     -22.9019      1.00000
     13     -22.8806      1.00000
     14     -22.8800      1.00000
     15     -19.4024      1.00000
     16     -19.3225      1.00000
     17     -19.2351      1.00000
     18     -19.2133      1.00000
     19     -18.4156      1.00000
     20     -18.3731      1.00000
     21     -18.2582      1.00000
     22     -18.1794      1.00000
     23     -18.1196      1.00000
     24     -18.0472      1.00000
     25     -17.9656      1.00000
     26     -17.9073      1.00000
     27     -14.2833      1.00000
     28     -14.2801      1.00000
     29     -14.0623      1.00000
     30     -14.0525      1.00000
     31     -12.8002      1.00000
     32     -12.7666      1.00000
     33      -9.1877      1.00000
     34      -9.1757      1.00000
     35      -6.1980      1.00000
     36      -6.1876      1.00000
     37      -5.8801      1.00000
     38      -5.8264      1.00000
     39      -5.2541      1.00000
     40      -5.2109      1.00000
     41      -4.0686      1.00000
     42      -4.0136      1.00000
     43      -3.6578      1.00000
     44      -3.6199      1.00000
     45      -3.1160      1.00000
     46      -3.1045      1.00000
     47      -2.8226      1.00000
     48      -2.8201      1.00000
     49      -2.5689      1.00000
     50      -2.5637      1.00000
     51      -1.3869      0.00210
     52      -1.3644      0.00023
     53       0.0667      0.00000
     54       0.1155      0.00000
     55       0.6507      0.00000
     56       0.6670      0.00000
     57       1.0104      0.00000
     58       1.0253      0.00000
     59       1.4530      0.00000
     60       1.4833      0.00000
     61       1.9786      0.00000
     62       1.9944      0.00000
     63       2.6027      0.00000
     64       2.6353      0.00000
     65       2.8462      0.00000
     66       2.9161      0.00000
     67       3.0147      0.00000
     68       3.0718      0.00000
     69       3.5207      0.00000
     70       3.5805      0.00000
     71       4.0475      0.00000
     72       4.0691      0.00000

 k-point   190 :      -0.1875   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2601      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9325      1.00000
      8     -23.9298      1.00000
      9     -22.9198      1.00000
     10     -22.9165      1.00000
     11     -22.9032      1.00000
     12     -22.9011      1.00000
     13     -22.8807      1.00000
     14     -22.8801      1.00000
     15     -19.3969      1.00000
     16     -19.3212      1.00000
     17     -19.2308      1.00000
     18     -19.2045      1.00000
     19     -18.3983      1.00000
     20     -18.3359      1.00000
     21     -18.2701      1.00000
     22     -18.1734      1.00000
     23     -18.0939      1.00000
     24     -18.0487      1.00000
     25     -17.9319      1.00000
     26     -17.8986      1.00000
     27     -14.4269      1.00000
     28     -14.4215      1.00000
     29     -14.0718      1.00000
     30     -14.0623      1.00000
     31     -12.8136      1.00000
     32     -12.7848      1.00000
     33      -9.0968      1.00000
     34      -9.0874      1.00000
     35      -6.2543      1.00000
     36      -6.2458      1.00000
     37      -5.6400      1.00000
     38      -5.5622      1.00000
     39      -4.9822      1.00000
     40      -4.8894      1.00000
     41      -4.0626      1.00000
     42      -3.9970      1.00000
     43      -3.5970      1.00000
     44      -3.5408      1.00000
     45      -3.2054      1.00000
     46      -3.1874      1.00000
     47      -2.7745      1.00000
     48      -2.7693      1.00000
     49      -2.5562      1.00000
     50      -2.5514      1.00000
     51      -1.4500      0.14032
     52      -1.4206      0.02807
     53      -0.1410      0.00000
     54      -0.0879      0.00000
     55       0.4310      0.00000
     56       0.4410      0.00000
     57       1.0594      0.00000
     58       1.0916      0.00000
     59       1.5557      0.00000
     60       1.6051      0.00000
     61       1.9055      0.00000
     62       1.9546      0.00000
     63       2.4259      0.00000
     64       2.4953      0.00000
     65       2.7381      0.00000
     66       2.8110      0.00000
     67       3.1794      0.00000
     68       3.1992      0.00000
     69       3.3954      0.00000
     70       3.4242      0.00000
     71       3.7819      0.00000
     72       3.8044      0.00000

 k-point   191 :      -0.1250   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3747      1.00000
      2     -36.3734      1.00000
      3     -36.2621      1.00000
      4     -36.2619      1.00000
      5     -23.9395      1.00000
      6     -23.9371      1.00000
      7     -23.9317      1.00000
      8     -23.9301      1.00000
      9     -22.9206      1.00000
     10     -22.9172      1.00000
     11     -22.9016      1.00000
     12     -22.9007      1.00000
     13     -22.8811      1.00000
     14     -22.8804      1.00000
     15     -19.3911      1.00000
     16     -19.3182      1.00000
     17     -19.2180      1.00000
     18     -19.1905      1.00000
     19     -18.3849      1.00000
     20     -18.3049      1.00000
     21     -18.2572      1.00000
     22     -18.1708      1.00000
     23     -18.0671      1.00000
     24     -18.0377      1.00000
     25     -17.9027      1.00000
     26     -17.8879      1.00000
     27     -14.5842      1.00000
     28     -14.5773      1.00000
     29     -14.1045      1.00000
     30     -14.0945      1.00000
     31     -12.8312      1.00000
     32     -12.8081      1.00000
     33      -8.9767      1.00000
     34      -8.9698      1.00000
     35      -6.2420      1.00000
     36      -6.2346      1.00000
     37      -5.3446      1.00000
     38      -5.2474      1.00000
     39      -4.7749      1.00000
     40      -4.6444      1.00000
     41      -3.9439      1.00000
     42      -3.8694      1.00000
     43      -3.5222      1.00000
     44      -3.4379      1.00000
     45      -3.2536      1.00000
     46      -3.2066      1.00000
     47      -2.7500      1.00000
     48      -2.7381      1.00000
     49      -2.5562      1.00000
     50      -2.5512      1.00000
     51      -1.5882      0.99766
     52      -1.5612      0.98054
     53      -0.4076      0.00000
     54      -0.3538      0.00000
     55       0.2751      0.00000
     56       0.2794      0.00000
     57       1.2038      0.00000
     58       1.2309      0.00000
     59       1.4452      0.00000
     60       1.4868      0.00000
     61       1.8781      0.00000
     62       1.9364      0.00000
     63       2.3050      0.00000
     64       2.3771      0.00000
     65       2.6862      0.00000
     66       2.7357      0.00000
     67       3.0552      0.00000
     68       3.0748      0.00000
     69       3.2503      0.00000
     70       3.2663      0.00000
     71       3.6791      0.00000
     72       3.6876      0.00000

 k-point   192 :      -0.0625   -0.3125    0.0000
  band No.  band energies     occupation 
      1     -36.3795      1.00000
      2     -36.3782      1.00000
      3     -36.2640      1.00000
      4     -36.2638      1.00000
      5     -23.9394      1.00000
      6     -23.9376      1.00000
      7     -23.9313      1.00000
      8     -23.9305      1.00000
      9     -22.9203      1.00000
     10     -22.9171      1.00000
     11     -22.9009      1.00000
     12     -22.9006      1.00000
     13     -22.8819      1.00000
     14     -22.8813      1.00000
     15     -19.3858      1.00000
     16     -19.3135      1.00000
     17     -19.1971      1.00000
     18     -19.1716      1.00000
     19     -18.3790      1.00000
     20     -18.2931      1.00000
     21     -18.2170      1.00000
     22     -18.1638      1.00000
     23     -18.0455      1.00000
     24     -18.0209      1.00000
     25     -17.8825      1.00000
     26     -17.8777      1.00000
     27     -14.7350      1.00000
     28     -14.7269      1.00000
     29     -14.1488      1.00000
     30     -14.1378      1.00000
     31     -12.8504      1.00000
     32     -12.8317      1.00000
     33      -8.8431      1.00000
     34      -8.8382      1.00000
     35      -6.1487      1.00000
     36      -6.1424      1.00000
     37      -5.1229      1.00000
     38      -5.0498      1.00000
     39      -4.5058      1.00000
     40      -4.4117      1.00000
     41      -3.8865      1.00000
     42      -3.8234      1.00000
     43      -3.3847      1.00000
     44      -3.3183      1.00000
     45      -3.1985      1.00000
     46      -3.1467      1.00000
     47      -2.7626      1.00000
     48      -2.7426      1.00000
     49      -2.5518      1.00000
     50      -2.5482      1.00000
     51      -1.7285      1.00000
     52      -1.7123      1.00000
     53      -0.6673      0.00000
     54      -0.6144      0.00000
     55       0.2327      0.00000
     56       0.2388      0.00000
     57       1.0428      0.00000
     58       1.0885      0.00000
     59       1.4023      0.00000
     60       1.4357      0.00000
     61       2.0985      0.00000
     62       2.1284      0.00000
     63       2.2816      0.00000
     64       2.3337      0.00000
     65       2.5449      0.00000
     66       2.5891      0.00000
     67       2.8810      0.00000
     68       2.8994      0.00000
     69       3.2478      0.00000
     70       3.2691      0.00000
     71       3.4381      0.00000
     72       3.4473      0.00000

 k-point   193 :       0.0000   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3922      1.00000
      2     -36.3909      1.00000
      3     -36.2695      1.00000
      4     -36.2692      1.00000
      5     -23.9385      1.00000
      6     -23.9374      1.00000
      7     -23.9322      1.00000
      8     -23.9313      1.00000
      9     -22.9170      1.00000
     10     -22.9132      1.00000
     11     -22.9008      1.00000
     12     -22.9003      1.00000
     13     -22.8866      1.00000
     14     -22.8860      1.00000
     15     -19.3728      1.00000
     16     -19.3049      1.00000
     17     -19.1174      1.00000
     18     -19.1068      1.00000
     19     -18.3653      1.00000
     20     -18.2814      1.00000
     21     -18.1242      1.00000
     22     -18.1007      1.00000
     23     -17.9966      1.00000
     24     -17.9611      1.00000
     25     -17.8704      1.00000
     26     -17.8621      1.00000
     27     -15.0780      1.00000
     28     -15.0685      1.00000
     29     -14.2870      1.00000
     30     -14.2728      1.00000
     31     -12.9065      1.00000
     32     -12.8871      1.00000
     33      -8.5090      1.00000
     34      -8.5082      1.00000
     35      -5.5201      1.00000
     36      -5.5121      1.00000
     37      -4.7164      1.00000
     38      -4.6451      1.00000
     39      -4.1044      1.00000
     40      -4.0337      1.00000
     41      -3.9042      1.00000
     42      -3.8585      1.00000
     43      -3.3811      1.00000
     44      -3.3728      1.00000
     45      -3.0082      1.00000
     46      -3.0023      1.00000
     47      -2.8646      1.00000
     48      -2.8329      1.00000
     49      -2.5824      1.00000
     50      -2.5797      1.00000
     51      -1.3693      0.00039
     52      -1.3618      0.00018
     53      -1.1696      0.00000
     54      -1.1203      0.00000
     55       0.5120      0.00000
     56       0.5131      0.00000
     57       0.9225      0.00000
     58       0.9598      0.00000
     59       1.4477      0.00000
     60       1.4701      0.00000
     61       2.0261      0.00000
     62       2.0392      0.00000
     63       2.2357      0.00000
     64       2.2537      0.00000
     65       2.3921      0.00000
     66       2.4261      0.00000
     67       2.6425      0.00000
     68       2.6515      0.00000
     69       2.8442      0.00000
     70       2.8509      0.00000
     71       2.8990      0.00000
     72       2.9172      0.00000

 k-point   194 :       0.0625   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3955      1.00000
      2     -36.3942      1.00000
      3     -36.2709      1.00000
      4     -36.2707      1.00000
      5     -23.9385      1.00000
      6     -23.9371      1.00000
      7     -23.9326      1.00000
      8     -23.9314      1.00000
      9     -22.9162      1.00000
     10     -22.9122      1.00000
     11     -22.9007      1.00000
     12     -22.8999      1.00000
     13     -22.8880      1.00000
     14     -22.8874      1.00000
     15     -19.3693      1.00000
     16     -19.3056      1.00000
     17     -19.0954      1.00000
     18     -19.0891      1.00000
     19     -18.3591      1.00000
     20     -18.2808      1.00000
     21     -18.1039      1.00000
     22     -18.0780      1.00000
     23     -17.9789      1.00000
     24     -17.9410      1.00000
     25     -17.8723      1.00000
     26     -17.8606      1.00000
     27     -15.1565      1.00000
     28     -15.1471      1.00000
     29     -14.3264      1.00000
     30     -14.3119      1.00000
     31     -12.9222      1.00000
     32     -12.9026      1.00000
     33      -8.4464      1.00000
     34      -8.4451      1.00000
     35      -5.2430      1.00000
     36      -5.2203      1.00000
     37      -4.6895      1.00000
     38      -4.6071      1.00000
     39      -4.1495      1.00000
     40      -3.9823      1.00000
     41      -3.7669      1.00000
     42      -3.6829      1.00000
     43      -3.4121      1.00000
     44      -3.4059      1.00000
     45      -3.1152      1.00000
     46      -3.0758      1.00000
     47      -2.8627      1.00000
     48      -2.8228      1.00000
     49      -2.6156      1.00000
     50      -2.6122      1.00000
     51      -1.3008      0.00000
     52      -1.2497      0.00000
     53      -1.1402      0.00000
     54      -1.1128      0.00000
     55       0.6553      0.00000
     56       0.6748      0.00000
     57       1.0408      0.00000
     58       1.0543      0.00000
     59       1.3867      0.00000
     60       1.4182      0.00000
     61       1.8367      0.00000
     62       1.9045      0.00000
     63       1.9580      0.00000
     64       1.9932      0.00000
     65       2.3788      0.00000
     66       2.4539      0.00000
     67       2.5006      0.00000
     68       2.5223      0.00000
     69       2.7739      0.00000
     70       2.8100      0.00000
     71       2.8644      0.00000
     72       2.9070      0.00000

 k-point   195 :       0.1250   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3967      1.00000
      2     -36.3954      1.00000
      3     -36.2715      1.00000
      4     -36.2712      1.00000
      5     -23.9386      1.00000
      6     -23.9368      1.00000
      7     -23.9329      1.00000
      8     -23.9314      1.00000
      9     -22.9160      1.00000
     10     -22.9117      1.00000
     11     -22.9007      1.00000
     12     -22.8996      1.00000
     13     -22.8886      1.00000
     14     -22.8879      1.00000
     15     -19.3679      1.00000
     16     -19.3060      1.00000
     17     -19.0876      1.00000
     18     -19.0825      1.00000
     19     -18.3565      1.00000
     20     -18.2806      1.00000
     21     -18.0989      1.00000
     22     -18.0691      1.00000
     23     -17.9708      1.00000
     24     -17.9316      1.00000
     25     -17.8757      1.00000
     26     -17.8611      1.00000
     27     -15.1833      1.00000
     28     -15.1739      1.00000
     29     -14.3403      1.00000
     30     -14.3257      1.00000
     31     -12.9278      1.00000
     32     -12.9081      1.00000
     33      -8.4261      1.00000
     34      -8.4242      1.00000
     35      -5.0132      1.00000
     36      -4.9751      1.00000
     37      -4.8307      1.00000
     38      -4.7810      1.00000
     39      -4.1474      1.00000
     40      -4.0163      1.00000
     41      -3.5199      1.00000
     42      -3.5086      1.00000
     43      -3.4004      1.00000
     44      -3.3922      1.00000
     45      -3.3226      1.00000
     46      -3.2568      1.00000
     47      -2.8559      1.00000
     48      -2.8154      1.00000
     49      -2.6386      1.00000
     50      -2.6339      1.00000
     51      -1.3293      0.00000
     52      -1.2725      0.00000
     53      -1.0283      0.00000
     54      -0.9901      0.00000
     55       0.7897      0.00000
     56       0.8264      0.00000
     57       1.1388      0.00000
     58       1.1592      0.00000
     59       1.4014      0.00000
     60       1.4449      0.00000
     61       1.6148      0.00000
     62       1.6382      0.00000
     63       1.7903      0.00000
     64       1.8320      0.00000
     65       2.3502      0.00000
     66       2.3667      0.00000
     67       2.5015      0.00000
     68       2.5245      0.00000
     69       2.7783      0.00000
     70       2.7943      0.00000
     71       2.8320      0.00000
     72       2.8727      0.00000

 k-point   196 :       0.1875   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3955      1.00000
      2     -36.3942      1.00000
      3     -36.2709      1.00000
      4     -36.2707      1.00000
      5     -23.9385      1.00000
      6     -23.9371      1.00000
      7     -23.9326      1.00000
      8     -23.9314      1.00000
      9     -22.9162      1.00000
     10     -22.9122      1.00000
     11     -22.9007      1.00000
     12     -22.8999      1.00000
     13     -22.8880      1.00000
     14     -22.8874      1.00000
     15     -19.3691      1.00000
     16     -19.3058      1.00000
     17     -19.0954      1.00000
     18     -19.0890      1.00000
     19     -18.3593      1.00000
     20     -18.2806      1.00000
     21     -18.1038      1.00000
     22     -18.0780      1.00000
     23     -17.9789      1.00000
     24     -17.9410      1.00000
     25     -17.8723      1.00000
     26     -17.8606      1.00000
     27     -15.1565      1.00000
     28     -15.1471      1.00000
     29     -14.3264      1.00000
     30     -14.3119      1.00000
     31     -12.9218      1.00000
     32     -12.9030      1.00000
     33      -8.4464      1.00000
     34      -8.4451      1.00000
     35      -5.2430      1.00000
     36      -5.2203      1.00000
     37      -4.6895      1.00000
     38      -4.6071      1.00000
     39      -4.1495      1.00000
     40      -3.9823      1.00000
     41      -3.7668      1.00000
     42      -3.6832      1.00000
     43      -3.4113      1.00000
     44      -3.4065      1.00000
     45      -3.1155      1.00000
     46      -3.0757      1.00000
     47      -2.8625      1.00000
     48      -2.8228      1.00000
     49      -2.6160      1.00000
     50      -2.6118      1.00000
     51      -1.3026      0.00000
     52      -1.2486      0.00000
     53      -1.1394      0.00000
     54      -1.1129      0.00000
     55       0.6554      0.00000
     56       0.6747      0.00000
     57       1.0403      0.00000
     58       1.0550      0.00000
     59       1.3795      0.00000
     60       1.4258      0.00000
     61       1.8348      0.00000
     62       1.9042      0.00000
     63       1.9607      0.00000
     64       1.9918      0.00000
     65       2.3814      0.00000
     66       2.4513      0.00000
     67       2.4973      0.00000
     68       2.5260      0.00000
     69       2.7722      0.00000
     70       2.8115      0.00000
     71       2.8642      0.00000
     72       2.9071      0.00000

 k-point   197 :       0.2500   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3922      1.00000
      2     -36.3909      1.00000
      3     -36.2695      1.00000
      4     -36.2692      1.00000
      5     -23.9385      1.00000
      6     -23.9374      1.00000
      7     -23.9322      1.00000
      8     -23.9314      1.00000
      9     -22.9170      1.00000
     10     -22.9132      1.00000
     11     -22.9008      1.00000
     12     -22.9003      1.00000
     13     -22.8865      1.00000
     14     -22.8860      1.00000
     15     -19.3724      1.00000
     16     -19.3052      1.00000
     17     -19.1175      1.00000
     18     -19.1068      1.00000
     19     -18.3657      1.00000
     20     -18.2812      1.00000
     21     -18.1241      1.00000
     22     -18.1007      1.00000
     23     -17.9966      1.00000
     24     -17.9610      1.00000
     25     -17.8704      1.00000
     26     -17.8621      1.00000
     27     -15.0780      1.00000
     28     -15.0685      1.00000
     29     -14.2870      1.00000
     30     -14.2728      1.00000
     31     -12.9057      1.00000
     32     -12.8878      1.00000
     33      -8.5090      1.00000
     34      -8.5083      1.00000
     35      -5.5201      1.00000
     36      -5.5121      1.00000
     37      -4.7164      1.00000
     38      -4.6451      1.00000
     39      -4.1043      1.00000
     40      -4.0337      1.00000
     41      -3.9041      1.00000
     42      -3.8586      1.00000
     43      -3.3790      1.00000
     44      -3.3749      1.00000
     45      -3.0082      1.00000
     46      -3.0023      1.00000
     47      -2.8651      1.00000
     48      -2.8323      1.00000
     49      -2.5828      1.00000
     50      -2.5793      1.00000
     51      -1.3699      0.00041
     52      -1.3612      0.00017
     53      -1.1765      0.00000
     54      -1.1132      0.00000
     55       0.5121      0.00000
     56       0.5131      0.00000
     57       0.9223      0.00000
     58       0.9601      0.00000
     59       1.4447      0.00000
     60       1.4730      0.00000
     61       2.0289      0.00000
     62       2.0363      0.00000
     63       2.2350      0.00000
     64       2.2543      0.00000
     65       2.3937      0.00000
     66       2.4246      0.00000
     67       2.6456      0.00000
     68       2.6482      0.00000
     69       2.8460      0.00000
     70       2.8491      0.00000
     71       2.8997      0.00000
     72       2.9165      0.00000

 k-point   198 :       0.3125   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3872      1.00000
      2     -36.3859      1.00000
      3     -36.2673      1.00000
      4     -36.2671      1.00000
      5     -23.9389      1.00000
      6     -23.9371      1.00000
      7     -23.9320      1.00000
      8     -23.9311      1.00000
      9     -22.9182      1.00000
     10     -22.9142      1.00000
     11     -22.9009      1.00000
     12     -22.9005      1.00000
     13     -22.8850      1.00000
     14     -22.8843      1.00000
     15     -19.3775      1.00000
     16     -19.3052      1.00000
     17     -19.1488      1.00000
     18     -19.1314      1.00000
     19     -18.3724      1.00000
     20     -18.2826      1.00000
     21     -18.1675      1.00000
     22     -18.1255      1.00000
     23     -18.0159      1.00000
     24     -17.9853      1.00000
     25     -17.8756      1.00000
     26     -17.8702      1.00000
     27     -14.9534      1.00000
     28     -14.9440      1.00000
     29     -14.2289      1.00000
     30     -14.2154      1.00000
     31     -12.8829      1.00000
     32     -12.8642      1.00000
     33      -8.6153      1.00000
     34      -8.6124      1.00000
     35      -5.7457      1.00000
     36      -5.7401      1.00000
     37      -4.9659      1.00000
     38      -4.8900      1.00000
     39      -4.2882      1.00000
     40      -4.1715      1.00000
     41      -3.8897      1.00000
     42      -3.8001      1.00000
     43      -3.3641      1.00000
     44      -3.3401      1.00000
     45      -3.1449      1.00000
     46      -3.1351      1.00000
     47      -2.8469      1.00000
     48      -2.8127      1.00000
     49      -2.5829      1.00000
     50      -2.5784      1.00000
     51      -1.4338      0.06223
     52      -1.4172      0.02240
     53      -0.9983      0.00000
     54      -0.9279      0.00000
     55       0.4240      0.00000
     56       0.4324      0.00000
     57       1.0610      0.00000
     58       1.1002      0.00000
     59       1.5052      0.00000
     60       1.5239      0.00000
     61       1.9418      0.00000
     62       1.9814      0.00000
     63       2.1630      0.00000
     64       2.2280      0.00000
     65       2.3966      0.00000
     66       2.4600      0.00000
     67       2.8100      0.00000
     68       2.8383      0.00000
     69       3.0122      0.00000
     70       3.0379      0.00000
     71       3.0963      0.00000
     72       3.1112      0.00000

 k-point   199 :       0.3750   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3813      1.00000
      2     -36.3800      1.00000
      3     -36.2648      1.00000
      4     -36.2646      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9322      1.00000
      8     -23.9308      1.00000
      9     -22.9192      1.00000
     10     -22.9150      1.00000
     11     -22.9012      1.00000
     12     -22.9009      1.00000
     13     -22.8835      1.00000
     14     -22.8828      1.00000
     15     -19.3839      1.00000
     16     -19.3065      1.00000
     17     -19.1825      1.00000
     18     -19.1579      1.00000
     19     -18.3788      1.00000
     20     -18.2852      1.00000
     21     -18.2238      1.00000
     22     -18.1471      1.00000
     23     -18.0366      1.00000
     24     -18.0127      1.00000
     25     -17.8896      1.00000
     26     -17.8827      1.00000
     27     -14.7929      1.00000
     28     -14.7840      1.00000
     29     -14.1631      1.00000
     30     -14.1504      1.00000
     31     -12.8575      1.00000
     32     -12.8356      1.00000
     33      -8.7575      1.00000
     34      -8.7521      1.00000
     35      -5.9122      1.00000
     36      -5.9021      1.00000
     37      -5.2855      1.00000
     38      -5.2118      1.00000
     39      -4.4870      1.00000
     40      -4.3769      1.00000
     41      -3.9186      1.00000
     42      -3.8322      1.00000
     43      -3.4959      1.00000
     44      -3.4097      1.00000
     45      -3.2494      1.00000
     46      -3.2155      1.00000
     47      -2.8382      1.00000
     48      -2.8131      1.00000
     49      -2.5800      1.00000
     50      -2.5727      1.00000
     51      -1.3656      0.00026
     52      -1.3390      0.00001
     53      -0.7469      0.00000
     54      -0.6688      0.00000
     55       0.3983      0.00000
     56       0.4074      0.00000
     57       1.2825      0.00000
     58       1.3497      0.00000
     59       1.4339      0.00000
     60       1.4929      0.00000
     61       1.8418      0.00000
     62       1.8977      0.00000
     63       2.2394      0.00000
     64       2.2760      0.00000
     65       2.4854      0.00000
     66       2.5242      0.00000
     67       2.8843      0.00000
     68       2.9039      0.00000
     69       3.1712      0.00000
     70       3.1981      0.00000
     71       3.3537      0.00000
     72       3.3636      0.00000

 k-point   200 :       0.4375   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3754      1.00000
      2     -36.3740      1.00000
      3     -36.2623      1.00000
      4     -36.2621      1.00000
      5     -23.9393      1.00000
      6     -23.9360      1.00000
      7     -23.9326      1.00000
      8     -23.9303      1.00000
      9     -22.9195      1.00000
     10     -22.9153      1.00000
     11     -22.9022      1.00000
     12     -22.9011      1.00000
     13     -22.8822      1.00000
     14     -22.8816      1.00000
     15     -19.3908      1.00000
     16     -19.3099      1.00000
     17     -19.2112      1.00000
     18     -19.1819      1.00000
     19     -18.3882      1.00000
     20     -18.2955      1.00000
     21     -18.2713      1.00000
     22     -18.1614      1.00000
     23     -18.0628      1.00000
     24     -18.0366      1.00000
     25     -17.9136      1.00000
     26     -17.8929      1.00000
     27     -14.6121      1.00000
     28     -14.6044      1.00000
     29     -14.1035      1.00000
     30     -14.0920      1.00000
     31     -12.8331      1.00000
     32     -12.8069      1.00000
     33      -8.9191      1.00000
     34      -8.9111      1.00000
     35      -6.0259      1.00000
     36      -6.0160      1.00000
     37      -5.5958      1.00000
     38      -5.5342      1.00000
     39      -4.6797      1.00000
     40      -4.6080      1.00000
     41      -4.0882      1.00000
     42      -4.0326      1.00000
     43      -3.5524      1.00000
     44      -3.4842      1.00000
     45      -3.2025      1.00000
     46      -3.1830      1.00000
     47      -2.8495      1.00000
     48      -2.8361      1.00000
     49      -2.5674      1.00000
     50      -2.5594      1.00000
     51      -1.3087      0.00000
     52      -1.2784      0.00000
     53      -0.4535      0.00000
     54      -0.3686      0.00000
     55       0.4612      0.00000
     56       0.4673      0.00000
     57       1.0597      0.00000
     58       1.1198      0.00000
     59       1.5881      0.00000
     60       1.6799      0.00000
     61       1.9039      0.00000
     62       1.9878      0.00000
     63       2.4113      0.00000
     64       2.4489      0.00000
     65       2.6059      0.00000
     66       2.6211      0.00000
     67       2.9872      0.00000
     68       3.0031      0.00000
     69       3.2800      0.00000
     70       3.3168      0.00000
     71       3.5921      0.00000
     72       3.6093      0.00000

 k-point   201 :       0.5000   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2600      1.00000
      5     -23.9389      1.00000
      6     -23.9359      1.00000
      7     -23.9331      1.00000
      8     -23.9299      1.00000
      9     -22.9190      1.00000
     10     -22.9153      1.00000
     11     -22.9038      1.00000
     12     -22.9015      1.00000
     13     -22.8813      1.00000
     14     -22.8806      1.00000
     15     -19.3973      1.00000
     16     -19.3160      1.00000
     17     -19.2289      1.00000
     18     -19.2007      1.00000
     19     -18.4022      1.00000
     20     -18.3391      1.00000
     21     -18.2706      1.00000
     22     -18.1706      1.00000
     23     -18.0939      1.00000
     24     -18.0479      1.00000
     25     -17.9410      1.00000
     26     -17.9015      1.00000
     27     -14.4329      1.00000
     28     -14.4270      1.00000
     29     -14.0659      1.00000
     30     -14.0556      1.00000
     31     -12.8130      1.00000
     32     -12.7828      1.00000
     33      -9.0736      1.00000
     34      -9.0633      1.00000
     35      -6.1108      1.00000
     36      -6.1034      1.00000
     37      -5.8163      1.00000
     38      -5.7650      1.00000
     39      -4.9527      1.00000
     40      -4.9206      1.00000
     41      -4.1474      1.00000
     42      -4.1034      1.00000
     43      -3.5785      1.00000
     44      -3.5321      1.00000
     45      -3.1427      1.00000
     46      -3.1307      1.00000
     47      -2.8538      1.00000
     48      -2.8501      1.00000
     49      -2.5618      1.00000
     50      -2.5545      1.00000
     51      -1.3293      0.00000
     52      -1.3013      0.00000
     53      -0.1648      0.00000
     54      -0.0803      0.00000
     55       0.5822      0.00000
     56       0.5841      0.00000
     57       0.9539      0.00000
     58       1.0096      0.00000
     59       1.4812      0.00000
     60       1.5329      0.00000
     61       2.0626      0.00000
     62       2.0951      0.00000
     63       2.5480      0.00000
     64       2.5963      0.00000
     65       2.7353      0.00000
     66       2.7985      0.00000
     67       3.0885      0.00000
     68       3.1268      0.00000
     69       3.3732      0.00000
     70       3.4065      0.00000
     71       3.7366      0.00000
     72       3.7597      0.00000

 k-point   202 :      -0.4375   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3669      1.00000
      2     -36.3655      1.00000
      3     -36.2589      1.00000
      4     -36.2587      1.00000
      5     -23.9384      1.00000
      6     -23.9361      1.00000
      7     -23.9334      1.00000
      8     -23.9296      1.00000
      9     -22.9180      1.00000
     10     -22.9152      1.00000
     11     -22.9056      1.00000
     12     -22.9019      1.00000
     13     -22.8807      1.00000
     14     -22.8800      1.00000
     15     -19.4021      1.00000
     16     -19.3227      1.00000
     17     -19.2351      1.00000
     18     -19.2133      1.00000
     19     -18.4157      1.00000
     20     -18.3731      1.00000
     21     -18.2583      1.00000
     22     -18.1792      1.00000
     23     -18.1195      1.00000
     24     -18.0472      1.00000
     25     -17.9655      1.00000
     26     -17.9074      1.00000
     27     -14.2834      1.00000
     28     -14.2801      1.00000
     29     -14.0623      1.00000
     30     -14.0525      1.00000
     31     -12.7999      1.00000
     32     -12.7669      1.00000
     33      -9.1877      1.00000
     34      -9.1757      1.00000
     35      -6.1981      1.00000
     36      -6.1875      1.00000
     37      -5.8801      1.00000
     38      -5.8264      1.00000
     39      -5.2542      1.00000
     40      -5.2108      1.00000
     41      -4.0686      1.00000
     42      -4.0136      1.00000
     43      -3.6579      1.00000
     44      -3.6198      1.00000
     45      -3.1156      1.00000
     46      -3.1049      1.00000
     47      -2.8222      1.00000
     48      -2.8205      1.00000
     49      -2.5701      1.00000
     50      -2.5625      1.00000
     51      -1.3869      0.00209
     52      -1.3645      0.00024
     53       0.0564      0.00000
     54       0.1256      0.00000
     55       0.6560      0.00000
     56       0.6618      0.00000
     57       1.0059      0.00000
     58       1.0299      0.00000
     59       1.4555      0.00000
     60       1.4811      0.00000
     61       1.9723      0.00000
     62       2.0011      0.00000
     63       2.6063      0.00000
     64       2.6312      0.00000
     65       2.8502      0.00000
     66       2.9096      0.00000
     67       3.0189      0.00000
     68       3.0697      0.00000
     69       3.5159      0.00000
     70       3.5858      0.00000
     71       4.0382      0.00000
     72       4.0779      0.00000

 k-point   203 :      -0.3750   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3657      1.00000
      2     -36.3643      1.00000
      3     -36.2584      1.00000
      4     -36.2582      1.00000
      5     -23.9381      1.00000
      6     -23.9364      1.00000
      7     -23.9335      1.00000
      8     -23.9295      1.00000
      9     -22.9174      1.00000
     10     -22.9151      1.00000
     11     -22.9064      1.00000
     12     -22.9021      1.00000
     13     -22.8805      1.00000
     14     -22.8798      1.00000
     15     -19.4039      1.00000
     16     -19.3256      1.00000
     17     -19.2356      1.00000
     18     -19.2182      1.00000
     19     -18.4212      1.00000
     20     -18.3852      1.00000
     21     -18.2510      1.00000
     22     -18.1843      1.00000
     23     -18.1294      1.00000
     24     -18.0438      1.00000
     25     -17.9767      1.00000
     26     -17.9095      1.00000
     27     -14.2132      1.00000
     28     -14.2112      1.00000
     29     -14.0776      1.00000
     30     -14.0665      1.00000
     31     -12.7954      1.00000
     32     -12.7613      1.00000
     33      -9.2301      1.00000
     34      -9.2176      1.00000
     35      -6.2377      1.00000
     36      -6.2287      1.00000
     37      -5.8665      1.00000
     38      -5.8019      1.00000
     39      -5.4017      1.00000
     40      -5.3403      1.00000
     41      -3.9954      1.00000
     42      -3.9205      1.00000
     43      -3.7383      1.00000
     44      -3.6875      1.00000
     45      -3.1124      1.00000
     46      -3.1022      1.00000
     47      -2.7975      1.00000
     48      -2.7933      1.00000
     49      -2.5784      1.00000
     50      -2.5707      1.00000
     51      -1.4149      0.01914
     52      -1.3963      0.00470
     53       0.1454      0.00000
     54       0.1967      0.00000
     55       0.6609      0.00000
     56       0.6743      0.00000
     57       1.0513      0.00000
     58       1.0878      0.00000
     59       1.4758      0.00000
     60       1.5389      0.00000
     61       1.8533      0.00000
     62       1.9079      0.00000
     63       2.6487      0.00000
     64       2.6700      0.00000
     65       2.8456      0.00000
     66       2.8696      0.00000
     67       2.9420      0.00000
     68       3.0475      0.00000
     69       3.6079      0.00000
     70       3.6935      0.00000
     71       4.2495      0.00000
     72       4.2785      0.00000

 k-point   204 :      -0.3125   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3669      1.00000
      2     -36.3655      1.00000
      3     -36.2589      1.00000
      4     -36.2587      1.00000
      5     -23.9384      1.00000
      6     -23.9361      1.00000
      7     -23.9334      1.00000
      8     -23.9296      1.00000
      9     -22.9180      1.00000
     10     -22.9152      1.00000
     11     -22.9056      1.00000
     12     -22.9019      1.00000
     13     -22.8807      1.00000
     14     -22.8800      1.00000
     15     -19.4023      1.00000
     16     -19.3225      1.00000
     17     -19.2350      1.00000
     18     -19.2133      1.00000
     19     -18.4155      1.00000
     20     -18.3731      1.00000
     21     -18.2582      1.00000
     22     -18.1793      1.00000
     23     -18.1196      1.00000
     24     -18.0472      1.00000
     25     -17.9656      1.00000
     26     -17.9074      1.00000
     27     -14.2833      1.00000
     28     -14.2801      1.00000
     29     -14.0623      1.00000
     30     -14.0525      1.00000
     31     -12.8001      1.00000
     32     -12.7667      1.00000
     33      -9.1877      1.00000
     34      -9.1757      1.00000
     35      -6.1981      1.00000
     36      -6.1875      1.00000
     37      -5.8801      1.00000
     38      -5.8264      1.00000
     39      -5.2542      1.00000
     40      -5.2108      1.00000
     41      -4.0686      1.00000
     42      -4.0136      1.00000
     43      -3.6578      1.00000
     44      -3.6199      1.00000
     45      -3.1161      1.00000
     46      -3.1045      1.00000
     47      -2.8232      1.00000
     48      -2.8195      1.00000
     49      -2.5691      1.00000
     50      -2.5635      1.00000
     51      -1.3869      0.00209
     52      -1.3645      0.00023
     53       0.0677      0.00000
     54       0.1146      0.00000
     55       0.6503      0.00000
     56       0.6672      0.00000
     57       1.0062      0.00000
     58       1.0294      0.00000
     59       1.4531      0.00000
     60       1.4834      0.00000
     61       1.9749      0.00000
     62       1.9984      0.00000
     63       2.6060      0.00000
     64       2.6315      0.00000
     65       2.8481      0.00000
     66       2.9123      0.00000
     67       3.0229      0.00000
     68       3.0657      0.00000
     69       3.5163      0.00000
     70       3.5855      0.00000
     71       4.0452      0.00000
     72       4.0709      0.00000

 k-point   205 :      -0.2500   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2600      1.00000
      5     -23.9390      1.00000
      6     -23.9358      1.00000
      7     -23.9331      1.00000
      8     -23.9299      1.00000
      9     -22.9190      1.00000
     10     -22.9154      1.00000
     11     -22.9039      1.00000
     12     -22.9015      1.00000
     13     -22.8813      1.00000
     14     -22.8806      1.00000
     15     -19.3977      1.00000
     16     -19.3156      1.00000
     17     -19.2288      1.00000
     18     -19.2007      1.00000
     19     -18.4020      1.00000
     20     -18.3391      1.00000
     21     -18.2707      1.00000
     22     -18.1707      1.00000
     23     -18.0940      1.00000
     24     -18.0479      1.00000
     25     -17.9411      1.00000
     26     -17.9015      1.00000
     27     -14.4328      1.00000
     28     -14.4271      1.00000
     29     -14.0658      1.00000
     30     -14.0556      1.00000
     31     -12.8135      1.00000
     32     -12.7823      1.00000
     33      -9.0736      1.00000
     34      -9.0633      1.00000
     35      -6.1108      1.00000
     36      -6.1034      1.00000
     37      -5.8163      1.00000
     38      -5.7650      1.00000
     39      -4.9527      1.00000
     40      -4.9206      1.00000
     41      -4.1474      1.00000
     42      -4.1034      1.00000
     43      -3.5784      1.00000
     44      -3.5321      1.00000
     45      -3.1430      1.00000
     46      -3.1303      1.00000
     47      -2.8529      1.00000
     48      -2.8509      1.00000
     49      -2.5607      1.00000
     50      -2.5556      1.00000
     51      -1.3294      0.00000
     52      -1.3012      0.00000
     53      -0.1481      0.00000
     54      -0.0973      0.00000
     55       0.5755      0.00000
     56       0.5907      0.00000
     57       0.9540      0.00000
     58       1.0095      0.00000
     59       1.4802      0.00000
     60       1.5338      0.00000
     61       2.0623      0.00000
     62       2.0949      0.00000
     63       2.5525      0.00000
     64       2.5915      0.00000
     65       2.7330      0.00000
     66       2.8021      0.00000
     67       3.0936      0.00000
     68       3.1221      0.00000
     69       3.3727      0.00000
     70       3.4070      0.00000
     71       3.7354      0.00000
     72       3.7606      0.00000

 k-point   206 :      -0.1875   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3754      1.00000
      2     -36.3740      1.00000
      3     -36.2623      1.00000
      4     -36.2621      1.00000
      5     -23.9393      1.00000
      6     -23.9360      1.00000
      7     -23.9327      1.00000
      8     -23.9303      1.00000
      9     -22.9195      1.00000
     10     -22.9153      1.00000
     11     -22.9022      1.00000
     12     -22.9011      1.00000
     13     -22.8822      1.00000
     14     -22.8816      1.00000
     15     -19.3913      1.00000
     16     -19.3094      1.00000
     17     -19.2111      1.00000
     18     -19.1820      1.00000
     19     -18.3878      1.00000
     20     -18.2955      1.00000
     21     -18.2715      1.00000
     22     -18.1615      1.00000
     23     -18.0628      1.00000
     24     -18.0366      1.00000
     25     -17.9136      1.00000
     26     -17.8929      1.00000
     27     -14.6121      1.00000
     28     -14.6045      1.00000
     29     -14.1035      1.00000
     30     -14.0921      1.00000
     31     -12.8338      1.00000
     32     -12.8062      1.00000
     33      -8.9191      1.00000
     34      -8.9110      1.00000
     35      -6.0259      1.00000
     36      -6.0160      1.00000
     37      -5.5958      1.00000
     38      -5.5342      1.00000
     39      -4.6796      1.00000
     40      -4.6081      1.00000
     41      -4.0882      1.00000
     42      -4.0327      1.00000
     43      -3.5525      1.00000
     44      -3.4842      1.00000
     45      -3.2021      1.00000
     46      -3.1834      1.00000
     47      -2.8484      1.00000
     48      -2.8371      1.00000
     49      -2.5669      1.00000
     50      -2.5600      1.00000
     51      -1.3088      0.00000
     52      -1.2784      0.00000
     53      -0.4365      0.00000
     54      -0.3860      0.00000
     55       0.4601      0.00000
     56       0.4686      0.00000
     57       1.0598      0.00000
     58       1.1198      0.00000
     59       1.5883      0.00000
     60       1.6794      0.00000
     61       1.9018      0.00000
     62       1.9906      0.00000
     63       2.4097      0.00000
     64       2.4493      0.00000
     65       2.6057      0.00000
     66       2.6225      0.00000
     67       2.9839      0.00000
     68       3.0061      0.00000
     69       3.2776      0.00000
     70       3.3198      0.00000
     71       3.5882      0.00000
     72       3.6128      0.00000

 k-point   207 :      -0.1250   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3813      1.00000
      2     -36.3800      1.00000
      3     -36.2648      1.00000
      4     -36.2646      1.00000
      5     -23.9393      1.00000
      6     -23.9365      1.00000
      7     -23.9322      1.00000
      8     -23.9308      1.00000
      9     -22.9192      1.00000
     10     -22.9150      1.00000
     11     -22.9012      1.00000
     12     -22.9009      1.00000
     13     -22.8835      1.00000
     14     -22.8828      1.00000
     15     -19.3844      1.00000
     16     -19.3060      1.00000
     17     -19.1824      1.00000
     18     -19.1580      1.00000
     19     -18.3783      1.00000
     20     -18.2854      1.00000
     21     -18.2239      1.00000
     22     -18.1471      1.00000
     23     -18.0366      1.00000
     24     -18.0128      1.00000
     25     -17.8896      1.00000
     26     -17.8826      1.00000
     27     -14.7929      1.00000
     28     -14.7841      1.00000
     29     -14.1630      1.00000
     30     -14.1504      1.00000
     31     -12.8583      1.00000
     32     -12.8347      1.00000
     33      -8.7576      1.00000
     34      -8.7520      1.00000
     35      -5.9121      1.00000
     36      -5.9021      1.00000
     37      -5.2855      1.00000
     38      -5.2118      1.00000
     39      -4.4870      1.00000
     40      -4.3769      1.00000
     41      -3.9185      1.00000
     42      -3.8323      1.00000
     43      -3.4963      1.00000
     44      -3.4093      1.00000
     45      -3.2485      1.00000
     46      -3.2165      1.00000
     47      -2.8371      1.00000
     48      -2.8141      1.00000
     49      -2.5799      1.00000
     50      -2.5729      1.00000
     51      -1.3656      0.00026
     52      -1.3390      0.00001
     53      -0.7321      0.00000
     54      -0.6839      0.00000
     55       0.3986      0.00000
     56       0.4072      0.00000
     57       1.2833      0.00000
     58       1.3488      0.00000
     59       1.4339      0.00000
     60       1.4927      0.00000
     61       1.8381      0.00000
     62       1.9028      0.00000
     63       2.2317      0.00000
     64       2.2829      0.00000
     65       2.4896      0.00000
     66       2.5196      0.00000
     67       2.8770      0.00000
     68       2.9112      0.00000
     69       3.1692      0.00000
     70       3.2007      0.00000
     71       3.3508      0.00000
     72       3.3661      0.00000

 k-point   208 :      -0.0625   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -36.3872      1.00000
      2     -36.3859      1.00000
      3     -36.2673      1.00000
      4     -36.2671      1.00000
      5     -23.9389      1.00000
      6     -23.9371      1.00000
      7     -23.9320      1.00000
      8     -23.9311      1.00000
      9     -22.9182      1.00000
     10     -22.9142      1.00000
     11     -22.9010      1.00000
     12     -22.9005      1.00000
     13     -22.8850      1.00000
     14     -22.8844      1.00000
     15     -19.3780      1.00000
     16     -19.3048      1.00000
     17     -19.1487      1.00000
     18     -19.1315      1.00000
     19     -18.3719      1.00000
     20     -18.2829      1.00000
     21     -18.1676      1.00000
     22     -18.1255      1.00000
     23     -18.0159      1.00000
     24     -17.9854      1.00000
     25     -17.8756      1.00000
     26     -17.8701      1.00000
     27     -14.9534      1.00000
     28     -14.9440      1.00000
     29     -14.2289      1.00000
     30     -14.2154      1.00000
     31     -12.8838      1.00000
     32     -12.8632      1.00000
     33      -8.6153      1.00000
     34      -8.6124      1.00000
     35      -5.7457      1.00000
     36      -5.7402      1.00000
     37      -4.9659      1.00000
     38      -4.8901      1.00000
     39      -4.2882      1.00000
     40      -4.1716      1.00000
     41      -3.8896      1.00000
     42      -3.8002      1.00000
     43      -3.3663      1.00000
     44      -3.3375      1.00000
     45      -3.1452      1.00000
     46      -3.1352      1.00000
     47      -2.8458      1.00000
     48      -2.8137      1.00000
     49      -2.5828      1.00000
     50      -2.5785      1.00000
     51      -1.4336      0.06159
     52      -1.4174      0.02269
     53      -0.9871      0.00000
     54      -0.9393      0.00000
     55       0.4245      0.00000
     56       0.4319      0.00000
     57       1.0611      0.00000
     58       1.1001      0.00000
     59       1.5088      0.00000
     60       1.5200      0.00000
     61       1.9415      0.00000
     62       1.9834      0.00000
     63       2.1574      0.00000
     64       2.2326      0.00000
     65       2.3997      0.00000
     66       2.4564      0.00000
     67       2.8044      0.00000
     68       2.8443      0.00000
     69       3.0131      0.00000
     70       3.0371      0.00000
     71       3.0925      0.00000
     72       3.1146      0.00000

 k-point   209 :       0.0000   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.4004      1.00000
      2     -36.3992      1.00000
      3     -36.2731      1.00000
      4     -36.2729      1.00000
      5     -23.9382      1.00000
      6     -23.9377      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9152      1.00000
     10     -22.9119      1.00000
     11     -22.9000      1.00000
     12     -22.8994      1.00000
     13     -22.8893      1.00000
     14     -22.8890      1.00000
     15     -19.3644      1.00000
     16     -19.3093      1.00000
     17     -19.0651      1.00000
     18     -19.0642      1.00000
     19     -18.3491      1.00000
     20     -18.2812      1.00000
     21     -18.0587      1.00000
     22     -18.0484      1.00000
     23     -17.9560      1.00000
     24     -17.9152      1.00000
     25     -17.8681      1.00000
     26     -17.8534      1.00000
     27     -15.2666      1.00000
     28     -15.2577      1.00000
     29     -14.3870      1.00000
     30     -14.3731      1.00000
     31     -12.9473      1.00000
     32     -12.9293      1.00000
     33      -8.3817      1.00000
     34      -8.3799      1.00000
     35      -4.9845      1.00000
     36      -4.9349      1.00000
     37      -4.3581      1.00000
     38      -4.3057      1.00000
     39      -4.0270      1.00000
     40      -3.8424      1.00000
     41      -3.7509      1.00000
     42      -3.7164      1.00000
     43      -3.4421      1.00000
     44      -3.4341      1.00000
     45      -2.9613      1.00000
     46      -2.9454      1.00000
     47      -2.8649      1.00000
     48      -2.8416      1.00000
     49      -2.6056      1.00000
     50      -2.6025      1.00000
     51      -1.4611      0.22224
     52      -1.4141      0.01807
     53      -1.0925      0.00000
     54      -1.0690      0.00000
     55       0.6462      0.00000
     56       0.6753      0.00000
     57       1.0174      0.00000
     58       1.0385      0.00000
     59       1.2112      0.00000
     60       1.2402      0.00000
     61       1.8291      0.00000
     62       1.8659      0.00000
     63       2.0949      0.00000
     64       2.1258      0.00000
     65       2.3220      0.00000
     66       2.3300      0.00000
     67       2.4018      0.00000
     68       2.4248      0.00000
     69       2.6006      0.00000
     70       2.6081      0.00000
     71       2.6556      0.00000
     72       2.6697      0.00000

 k-point   210 :       0.0625   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.4031      1.00000
      2     -36.4018      1.00000
      3     -36.2743      1.00000
      4     -36.2741      1.00000
      5     -23.9384      1.00000
      6     -23.9377      1.00000
      7     -23.9328      1.00000
      8     -23.9314      1.00000
      9     -22.9149      1.00000
     10     -22.9118      1.00000
     11     -22.8995      1.00000
     12     -22.8988      1.00000
     13     -22.8903      1.00000
     14     -22.8899      1.00000
     15     -19.3616      1.00000
     16     -19.3123      1.00000
     17     -19.0505      1.00000
     18     -19.0487      1.00000
     19     -18.3425      1.00000
     20     -18.2816      1.00000
     21     -18.0398      1.00000
     22     -18.0275      1.00000
     23     -17.9407      1.00000
     24     -17.8970      1.00000
     25     -17.8707      1.00000
     26     -17.8503      1.00000
     27     -15.3234      1.00000
     28     -15.3150      1.00000
     29     -14.4199      1.00000
     30     -14.4066      1.00000
     31     -12.9612      1.00000
     32     -12.9445      1.00000
     33      -8.3540      1.00000
     34      -8.3515      1.00000
     35      -4.7500      1.00000
     36      -4.6456      1.00000
     37      -4.3169      1.00000
     38      -4.2481      1.00000
     39      -4.1094      1.00000
     40      -3.9190      1.00000
     41      -3.5483      1.00000
     42      -3.5208      1.00000
     43      -3.3462      1.00000
     44      -3.3212      1.00000
     45      -3.0638      1.00000
     46      -3.0288      1.00000
     47      -2.8600      1.00000
     48      -2.8277      1.00000
     49      -2.6392      1.00000
     50      -2.6373      1.00000
     51      -1.5473      0.95286
     52      -1.4940      0.56601
     53      -1.0220      0.00000
     54      -0.9815      0.00000
     55       0.7751      0.00000
     56       0.8345      0.00000
     57       1.0585      0.00000
     58       1.0773      0.00000
     59       1.1752      0.00000
     60       1.2122      0.00000
     61       1.5200      0.00000
     62       1.5720      0.00000
     63       1.9307      0.00000
     64       2.0545      0.00000
     65       2.1456      0.00000
     66       2.1519      0.00000
     67       2.3972      0.00000
     68       2.4465      0.00000
     69       2.5547      0.00000
     70       2.5758      0.00000
     71       2.6751      0.00000
     72       2.6945      0.00000

 k-point   211 :       0.1250   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.4031      1.00000
      2     -36.4018      1.00000
      3     -36.2743      1.00000
      4     -36.2741      1.00000
      5     -23.9384      1.00000
      6     -23.9377      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9149      1.00000
     10     -22.9118      1.00000
     11     -22.8995      1.00000
     12     -22.8988      1.00000
     13     -22.8903      1.00000
     14     -22.8899      1.00000
     15     -19.3614      1.00000
     16     -19.3124      1.00000
     17     -19.0505      1.00000
     18     -19.0487      1.00000
     19     -18.3426      1.00000
     20     -18.2816      1.00000
     21     -18.0398      1.00000
     22     -18.0275      1.00000
     23     -17.9407      1.00000
     24     -17.8970      1.00000
     25     -17.8707      1.00000
     26     -17.8503      1.00000
     27     -15.3234      1.00000
     28     -15.3150      1.00000
     29     -14.4199      1.00000
     30     -14.4066      1.00000
     31     -12.9609      1.00000
     32     -12.9448      1.00000
     33      -8.3540      1.00000
     34      -8.3515      1.00000
     35      -4.7500      1.00000
     36      -4.6456      1.00000
     37      -4.3169      1.00000
     38      -4.2482      1.00000
     39      -4.1094      1.00000
     40      -3.9189      1.00000
     41      -3.5468      1.00000
     42      -3.5229      1.00000
     43      -3.3443      1.00000
     44      -3.3224      1.00000
     45      -3.0641      1.00000
     46      -3.0287      1.00000
     47      -2.8598      1.00000
     48      -2.8278      1.00000
     49      -2.6395      1.00000
     50      -2.6371      1.00000
     51      -1.5491      0.95767
     52      -1.4922      0.54515
     53      -1.0220      0.00000
     54      -0.9815      0.00000
     55       0.7759      0.00000
     56       0.8335      0.00000
     57       1.0571      0.00000
     58       1.0779      0.00000
     59       1.1755      0.00000
     60       1.2134      0.00000
     61       1.5173      0.00000
     62       1.5740      0.00000
     63       1.9313      0.00000
     64       2.0543      0.00000
     65       2.1396      0.00000
     66       2.1575      0.00000
     67       2.3971      0.00000
     68       2.4467      0.00000
     69       2.5540      0.00000
     70       2.5765      0.00000
     71       2.6767      0.00000
     72       2.6929      0.00000

 k-point   212 :       0.1875   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.4004      1.00000
      2     -36.3992      1.00000
      3     -36.2731      1.00000
      4     -36.2729      1.00000
      5     -23.9382      1.00000
      6     -23.9377      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9153      1.00000
     10     -22.9119      1.00000
     11     -22.9000      1.00000
     12     -22.8994      1.00000
     13     -22.8893      1.00000
     14     -22.8891      1.00000
     15     -19.3641      1.00000
     16     -19.3097      1.00000
     17     -19.0652      1.00000
     18     -19.0642      1.00000
     19     -18.3494      1.00000
     20     -18.2810      1.00000
     21     -18.0585      1.00000
     22     -18.0484      1.00000
     23     -17.9560      1.00000
     24     -17.9151      1.00000
     25     -17.8680      1.00000
     26     -17.8535      1.00000
     27     -15.2666      1.00000
     28     -15.2577      1.00000
     29     -14.3870      1.00000
     30     -14.3731      1.00000
     31     -12.9465      1.00000
     32     -12.9300      1.00000
     33      -8.3817      1.00000
     34      -8.3799      1.00000
     35      -4.9846      1.00000
     36      -4.9349      1.00000
     37      -4.3582      1.00000
     38      -4.3056      1.00000
     39      -4.0269      1.00000
     40      -3.8426      1.00000
     41      -3.7509      1.00000
     42      -3.7164      1.00000
     43      -3.4434      1.00000
     44      -3.4328      1.00000
     45      -2.9614      1.00000
     46      -2.9454      1.00000
     47      -2.8652      1.00000
     48      -2.8411      1.00000
     49      -2.6059      1.00000
     50      -2.6022      1.00000
     51      -1.4672      0.27635
     52      -1.4079      0.01159
     53      -1.0926      0.00000
     54      -1.0688      0.00000
     55       0.6468      0.00000
     56       0.6746      0.00000
     57       1.0164      0.00000
     58       1.0399      0.00000
     59       1.2066      0.00000
     60       1.2445      0.00000
     61       1.8263      0.00000
     62       1.8688      0.00000
     63       2.0955      0.00000
     64       2.1250      0.00000
     65       2.3242      0.00000
     66       2.3277      0.00000
     67       2.4031      0.00000
     68       2.4235      0.00000
     69       2.6022      0.00000
     70       2.6065      0.00000
     71       2.6562      0.00000
     72       2.6693      0.00000

 k-point   213 :       0.2500   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3955      1.00000
      2     -36.3942      1.00000
      3     -36.2709      1.00000
      4     -36.2707      1.00000
      5     -23.9385      1.00000
      6     -23.9371      1.00000
      7     -23.9326      1.00000
      8     -23.9314      1.00000
      9     -22.9162      1.00000
     10     -22.9122      1.00000
     11     -22.9007      1.00000
     12     -22.8999      1.00000
     13     -22.8880      1.00000
     14     -22.8874      1.00000
     15     -19.3690      1.00000
     16     -19.3059      1.00000
     17     -19.0955      1.00000
     18     -19.0890      1.00000
     19     -18.3594      1.00000
     20     -18.2806      1.00000
     21     -18.1038      1.00000
     22     -18.0780      1.00000
     23     -17.9789      1.00000
     24     -17.9410      1.00000
     25     -17.8723      1.00000
     26     -17.8606      1.00000
     27     -15.1565      1.00000
     28     -15.1471      1.00000
     29     -14.3264      1.00000
     30     -14.3119      1.00000
     31     -12.9215      1.00000
     32     -12.9033      1.00000
     33      -8.4464      1.00000
     34      -8.4452      1.00000
     35      -5.2430      1.00000
     36      -5.2204      1.00000
     37      -4.6896      1.00000
     38      -4.6071      1.00000
     39      -4.1495      1.00000
     40      -3.9823      1.00000
     41      -3.7669      1.00000
     42      -3.6831      1.00000
     43      -3.4113      1.00000
     44      -3.4066      1.00000
     45      -3.1152      1.00000
     46      -3.0759      1.00000
     47      -2.8629      1.00000
     48      -2.8225      1.00000
     49      -2.6161      1.00000
     50      -2.6117      1.00000
     51      -1.3045      0.00000
     52      -1.2464      0.00000
     53      -1.1402      0.00000
     54      -1.1123      0.00000
     55       0.6553      0.00000
     56       0.6748      0.00000
     57       1.0402      0.00000
     58       1.0551      0.00000
     59       1.3805      0.00000
     60       1.4247      0.00000
     61       1.8352      0.00000
     62       1.9049      0.00000
     63       1.9585      0.00000
     64       1.9932      0.00000
     65       2.3800      0.00000
     66       2.4526      0.00000
     67       2.5001      0.00000
     68       2.5230      0.00000
     69       2.7733      0.00000
     70       2.8105      0.00000
     71       2.8645      0.00000
     72       2.9068      0.00000

 k-point   214 :       0.3125   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3890      1.00000
      2     -36.3877      1.00000
      3     -36.2681      1.00000
      4     -36.2679      1.00000
      5     -23.9389      1.00000
      6     -23.9363      1.00000
      7     -23.9327      1.00000
      8     -23.9313      1.00000
      9     -22.9175      1.00000
     10     -22.9129      1.00000
     11     -22.9011      1.00000
     12     -22.9004      1.00000
     13     -22.8862      1.00000
     14     -22.8855      1.00000
     15     -19.3756      1.00000
     16     -19.3032      1.00000
     17     -19.1350      1.00000
     18     -19.1202      1.00000
     19     -18.3691      1.00000
     20     -18.2808      1.00000
     21     -18.1645      1.00000
     22     -18.1118      1.00000
     23     -18.0041      1.00000
     24     -17.9742      1.00000
     25     -17.8797      1.00000
     26     -17.8737      1.00000
     27     -15.0009      1.00000
     28     -14.9913      1.00000
     29     -14.2484      1.00000
     30     -14.2341      1.00000
     31     -12.8910      1.00000
     32     -12.8701      1.00000
     33      -8.5607      1.00000
     34      -8.5576      1.00000
     35      -5.4620      1.00000
     36      -5.4485      1.00000
     37      -5.1526      1.00000
     38      -5.0814      1.00000
     39      -4.2252      1.00000
     40      -4.1167      1.00000
     41      -3.7810      1.00000
     42      -3.7074      1.00000
     43      -3.4504      1.00000
     44      -3.3769      1.00000
     45      -3.3243      1.00000
     46      -3.3106      1.00000
     47      -2.8576      1.00000
     48      -2.8199      1.00000
     49      -2.6108      1.00000
     50      -2.6033      1.00000
     51      -1.1677      0.00000
     52      -1.1363      0.00000
     53      -1.0432      0.00000
     54      -0.9745      0.00000
     55       0.5793      0.00000
     56       0.5955      0.00000
     57       1.3175      0.00000
     58       1.3457      0.00000
     59       1.4622      0.00000
     60       1.5598      0.00000
     61       1.6673      0.00000
     62       1.7122      0.00000
     63       1.9909      0.00000
     64       2.0206      0.00000
     65       2.3849      0.00000
     66       2.4374      0.00000
     67       2.6745      0.00000
     68       2.6955      0.00000
     69       2.9923      0.00000
     70       3.0103      0.00000
     71       3.1309      0.00000
     72       3.1935      0.00000

 k-point   215 :       0.3750   -0.1875   -0.0000
  band No.  band energies     occupation 
      1     -36.3820      1.00000
      2     -36.3806      1.00000
      3     -36.2651      1.00000
      4     -36.2649      1.00000
      5     -23.9392      1.00000
      6     -23.9358      1.00000
      7     -23.9328      1.00000
      8     -23.9309      1.00000
      9     -22.9188      1.00000
     10     -22.9140      1.00000
     11     -22.9013      1.00000
     12     -22.9011      1.00000
     13     -22.8842      1.00000
     14     -22.8835      1.00000
     15     -19.3833      1.00000
     16     -19.3039      1.00000
     17     -19.1767      1.00000
     18     -19.1527      1.00000
     19     -18.3782      1.00000
     20     -18.2818      1.00000
     21     -18.2283      1.00000
     22     -18.1413      1.00000
     23     -18.0312      1.00000
     24     -18.0101      1.00000
     25     -17.8936      1.00000
     26     -17.8856      1.00000
     27     -14.8128      1.00000
     28     -14.8037      1.00000
     29     -14.1681      1.00000
     30     -14.1549      1.00000
     31     -12.8601      1.00000
     32     -12.8363      1.00000
     33      -8.7253      1.00000
     34      -8.7196      1.00000
     35      -5.7135      1.00000
     36      -5.6942      1.00000
     37      -5.4896      1.00000
     38      -5.4202      1.00000
     39      -4.3792      1.00000
     40      -4.3131      1.00000
     41      -3.9607      1.00000
     42      -3.9280      1.00000
     43      -3.5440      1.00000
     44      -3.4581      1.00000
     45      -3.2635      1.00000
     46      -3.2477      1.00000
     47      -2.8663      1.00000
     48      -2.8387      1.00000
     49      -2.5884      1.00000
     50      -2.5796      1.00000
     51      -1.1955      0.00000
     52      -1.1645      0.00000
     53      -0.7659      0.00000
     54      -0.6876      0.00000
     55       0.5110      0.00000
     56       0.5214      0.00000
     57       1.1588      0.00000
     58       1.2277      0.00000
     59       1.6272      0.00000
     60       1.6958      0.00000
     61       1.8249      0.00000
     62       1.8546      0.00000
     63       2.1976      0.00000
     64       2.2387      0.00000
     65       2.4042      0.00000
     66       2.4637      0.00000
     67       2.8063      0.00000
     68       2.8290      0.00000
     69       3.2308      0.00000
     70       3.2391      0.00000
     71       3.3308      0.00000
     72       3.3864      0.00000

 k-point   216 :       0.4375   -0.1875   -0.0000
  band No.  band energies     occupation 
      1     -36.3754      1.00000
      2     -36.3740      1.00000
      3     -36.2623      1.00000
      4     -36.2621      1.00000
      5     -23.9393      1.00000
      6     -23.9360      1.00000
      7     -23.9326      1.00000
      8     -23.9303      1.00000
      9     -22.9195      1.00000
     10     -22.9153      1.00000
     11     -22.9022      1.00000
     12     -22.9011      1.00000
     13     -22.8823      1.00000
     14     -22.8816      1.00000
     15     -19.3908      1.00000
     16     -19.3099      1.00000
     17     -19.2112      1.00000
     18     -19.1819      1.00000
     19     -18.3882      1.00000
     20     -18.2955      1.00000
     21     -18.2713      1.00000
     22     -18.1614      1.00000
     23     -18.0628      1.00000
     24     -18.0366      1.00000
     25     -17.9136      1.00000
     26     -17.8929      1.00000
     27     -14.6121      1.00000
     28     -14.6044      1.00000
     29     -14.1035      1.00000
     30     -14.0921      1.00000
     31     -12.8331      1.00000
     32     -12.8069      1.00000
     33      -8.9191      1.00000
     34      -8.9110      1.00000
     35      -6.0260      1.00000
     36      -6.0159      1.00000
     37      -5.5958      1.00000
     38      -5.5342      1.00000
     39      -4.6797      1.00000
     40      -4.6080      1.00000
     41      -4.0881      1.00000
     42      -4.0327      1.00000
     43      -3.5524      1.00000
     44      -3.4842      1.00000
     45      -3.2026      1.00000
     46      -3.1829      1.00000
     47      -2.8495      1.00000
     48      -2.8361      1.00000
     49      -2.5674      1.00000
     50      -2.5594      1.00000
     51      -1.3087      0.00000
     52      -1.2785      0.00000
     53      -0.4533      0.00000
     54      -0.3688      0.00000
     55       0.4612      0.00000
     56       0.4673      0.00000
     57       1.0597      0.00000
     58       1.1198      0.00000
     59       1.5880      0.00000
     60       1.6800      0.00000
     61       1.9045      0.00000
     62       1.9871      0.00000
     63       2.4124      0.00000
     64       2.4478      0.00000
     65       2.6065      0.00000
     66       2.6206      0.00000
     67       2.9875      0.00000
     68       3.0028      0.00000
     69       3.2798      0.00000
     70       3.3169      0.00000
     71       3.5922      0.00000
     72       3.6093      0.00000

 k-point   217 :       0.5000   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2601      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9325      1.00000
      8     -23.9298      1.00000
      9     -22.9198      1.00000
     10     -22.9165      1.00000
     11     -22.9032      1.00000
     12     -22.9011      1.00000
     13     -22.8808      1.00000
     14     -22.8800      1.00000
     15     -19.3966      1.00000
     16     -19.3215      1.00000
     17     -19.2308      1.00000
     18     -19.2044      1.00000
     19     -18.3985      1.00000
     20     -18.3359      1.00000
     21     -18.2702      1.00000
     22     -18.1732      1.00000
     23     -18.0938      1.00000
     24     -18.0487      1.00000
     25     -17.9319      1.00000
     26     -17.8987      1.00000
     27     -14.4269      1.00000
     28     -14.4215      1.00000
     29     -14.0718      1.00000
     30     -14.0623      1.00000
     31     -12.8131      1.00000
     32     -12.7852      1.00000
     33      -9.0968      1.00000
     34      -9.0874      1.00000
     35      -6.2544      1.00000
     36      -6.2457      1.00000
     37      -5.6399      1.00000
     38      -5.5623      1.00000
     39      -4.9823      1.00000
     40      -4.8893      1.00000
     41      -4.0626      1.00000
     42      -3.9971      1.00000
     43      -3.5970      1.00000
     44      -3.5408      1.00000
     45      -3.2058      1.00000
     46      -3.1870      1.00000
     47      -2.7739      1.00000
     48      -2.7699      1.00000
     49      -2.5573      1.00000
     50      -2.5503      1.00000
     51      -1.4499      0.13976
     52      -1.4207      0.02823
     53      -0.1551      0.00000
     54      -0.0736      0.00000
     55       0.4343      0.00000
     56       0.4376      0.00000
     57       1.0574      0.00000
     58       1.0937      0.00000
     59       1.5557      0.00000
     60       1.6056      0.00000
     61       1.9045      0.00000
     62       1.9551      0.00000
     63       2.4305      0.00000
     64       2.4897      0.00000
     65       2.7475      0.00000
     66       2.8025      0.00000
     67       3.1722      0.00000
     68       3.2063      0.00000
     69       3.3959      0.00000
     70       3.4239      0.00000
     71       3.7779      0.00000
     72       3.8088      0.00000

 k-point   218 :      -0.4375   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3675      1.00000
      2     -36.3662      1.00000
      3     -36.2591      1.00000
      4     -36.2590      1.00000
      5     -23.9390      1.00000
      6     -23.9370      1.00000
      7     -23.9324      1.00000
      8     -23.9294      1.00000
      9     -22.9198      1.00000
     10     -22.9172      1.00000
     11     -22.9038      1.00000
     12     -22.9012      1.00000
     13     -22.8800      1.00000
     14     -22.8791      1.00000
     15     -19.3994      1.00000
     16     -19.3318      1.00000
     17     -19.2367      1.00000
     18     -19.2178      1.00000
     19     -18.4051      1.00000
     20     -18.3596      1.00000
     21     -18.2655      1.00000
     22     -18.1788      1.00000
     23     -18.1133      1.00000
     24     -18.0520      1.00000
     25     -17.9433      1.00000
     26     -17.9020      1.00000
     27     -14.2988      1.00000
     28     -14.2962      1.00000
     29     -14.0762      1.00000
     30     -14.0676      1.00000
     31     -12.8026      1.00000
     32     -12.7737      1.00000
     33      -9.2044      1.00000
     34      -9.1943      1.00000
     35      -6.3665      1.00000
     36      -6.3587      1.00000
     37      -5.6589      1.00000
     38      -5.5585      1.00000
     39      -5.1672      1.00000
     40      -5.0507      1.00000
     41      -3.9714      1.00000
     42      -3.8767      1.00000
     43      -3.7132      1.00000
     44      -3.6405      1.00000
     45      -3.2153      1.00000
     46      -3.2030      1.00000
     47      -2.7087      1.00000
     48      -2.7003      1.00000
     49      -2.5598      1.00000
     50      -2.5496      1.00000
     51      -1.5431      0.93995
     52      -1.5154      0.77936
     53       0.0478      0.00000
     54       0.1044      0.00000
     55       0.4391      0.00000
     56       0.4443      0.00000
     57       1.0383      0.00000
     58       1.0770      0.00000
     59       1.6059      0.00000
     60       1.6210      0.00000
     61       1.8136      0.00000
     62       1.8551      0.00000
     63       2.3670      0.00000
     64       2.4560      0.00000
     65       2.8393      0.00000
     66       2.9140      0.00000
     67       3.1751      0.00000
     68       3.1993      0.00000
     69       3.5396      0.00000
     70       3.5774      0.00000
     71       3.9579      0.00000
     72       4.0043      0.00000

 k-point   219 :      -0.3750   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3675      1.00000
      2     -36.3662      1.00000
      3     -36.2591      1.00000
      4     -36.2590      1.00000
      5     -23.9390      1.00000
      6     -23.9370      1.00000
      7     -23.9324      1.00000
      8     -23.9294      1.00000
      9     -22.9198      1.00000
     10     -22.9172      1.00000
     11     -22.9038      1.00000
     12     -22.9012      1.00000
     13     -22.8800      1.00000
     14     -22.8791      1.00000
     15     -19.3995      1.00000
     16     -19.3317      1.00000
     17     -19.2367      1.00000
     18     -19.2178      1.00000
     19     -18.4050      1.00000
     20     -18.3597      1.00000
     21     -18.2655      1.00000
     22     -18.1789      1.00000
     23     -18.1133      1.00000
     24     -18.0520      1.00000
     25     -17.9433      1.00000
     26     -17.9020      1.00000
     27     -14.2988      1.00000
     28     -14.2963      1.00000
     29     -14.0762      1.00000
     30     -14.0676      1.00000
     31     -12.8027      1.00000
     32     -12.7736      1.00000
     33      -9.2044      1.00000
     34      -9.1943      1.00000
     35      -6.3665      1.00000
     36      -6.3587      1.00000
     37      -5.6589      1.00000
     38      -5.5585      1.00000
     39      -5.1672      1.00000
     40      -5.0507      1.00000
     41      -3.9714      1.00000
     42      -3.8767      1.00000
     43      -3.7132      1.00000
     44      -3.6405      1.00000
     45      -3.2156      1.00000
     46      -3.2026      1.00000
     47      -2.7089      1.00000
     48      -2.7001      1.00000
     49      -2.5593      1.00000
     50      -2.5501      1.00000
     51      -1.5431      0.93997
     52      -1.5154      0.77934
     53       0.0571      0.00000
     54       0.0953      0.00000
     55       0.4374      0.00000
     56       0.4458      0.00000
     57       1.0344      0.00000
     58       1.0805      0.00000
     59       1.6056      0.00000
     60       1.6212      0.00000
     61       1.8164      0.00000
     62       1.8528      0.00000
     63       2.3676      0.00000
     64       2.4555      0.00000
     65       2.8375      0.00000
     66       2.9159      0.00000
     67       3.1799      0.00000
     68       3.1945      0.00000
     69       3.5394      0.00000
     70       3.5778      0.00000
     71       3.9596      0.00000
     72       4.0024      0.00000

 k-point   220 :      -0.3125   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2602      1.00000
      4     -36.2601      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9325      1.00000
      8     -23.9297      1.00000
      9     -22.9198      1.00000
     10     -22.9165      1.00000
     11     -22.9032      1.00000
     12     -22.9011      1.00000
     13     -22.8808      1.00000
     14     -22.8800      1.00000
     15     -19.3969      1.00000
     16     -19.3212      1.00000
     17     -19.2307      1.00000
     18     -19.2045      1.00000
     19     -18.3981      1.00000
     20     -18.3361      1.00000
     21     -18.2703      1.00000
     22     -18.1733      1.00000
     23     -18.0939      1.00000
     24     -18.0487      1.00000
     25     -17.9319      1.00000
     26     -17.8987      1.00000
     27     -14.4269      1.00000
     28     -14.4215      1.00000
     29     -14.0718      1.00000
     30     -14.0623      1.00000
     31     -12.8136      1.00000
     32     -12.7848      1.00000
     33      -9.0969      1.00000
     34      -9.0873      1.00000
     35      -6.2544      1.00000
     36      -6.2457      1.00000
     37      -5.6399      1.00000
     38      -5.5623      1.00000
     39      -4.9823      1.00000
     40      -4.8892      1.00000
     41      -4.0626      1.00000
     42      -3.9971      1.00000
     43      -3.5970      1.00000
     44      -3.5408      1.00000
     45      -3.2063      1.00000
     46      -3.1865      1.00000
     47      -2.7731      1.00000
     48      -2.7706      1.00000
     49      -2.5561      1.00000
     50      -2.5515      1.00000
     51      -1.4499      0.13982
     52      -1.4207      0.02822
     53      -0.1367      0.00000
     54      -0.0922      0.00000
     55       0.4310      0.00000
     56       0.4408      0.00000
     57       1.0554      0.00000
     58       1.0953      0.00000
     59       1.5549      0.00000
     60       1.6062      0.00000
     61       1.9078      0.00000
     62       1.9520      0.00000
     63       2.4329      0.00000
     64       2.4870      0.00000
     65       2.7453      0.00000
     66       2.8054      0.00000
     67       3.1779      0.00000
     68       3.2008      0.00000
     69       3.3940      0.00000
     70       3.4261      0.00000
     71       3.7767      0.00000
     72       3.8099      0.00000

 k-point   221 :      -0.2500   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3754      1.00000
      2     -36.3740      1.00000
      3     -36.2623      1.00000
      4     -36.2621      1.00000
      5     -23.9393      1.00000
      6     -23.9360      1.00000
      7     -23.9327      1.00000
      8     -23.9303      1.00000
      9     -22.9195      1.00000
     10     -22.9153      1.00000
     11     -22.9022      1.00000
     12     -22.9011      1.00000
     13     -22.8822      1.00000
     14     -22.8816      1.00000
     15     -19.3914      1.00000
     16     -19.3094      1.00000
     17     -19.2111      1.00000
     18     -19.1820      1.00000
     19     -18.3877      1.00000
     20     -18.2956      1.00000
     21     -18.2716      1.00000
     22     -18.1615      1.00000
     23     -18.0629      1.00000
     24     -18.0366      1.00000
     25     -17.9136      1.00000
     26     -17.8929      1.00000
     27     -14.6121      1.00000
     28     -14.6045      1.00000
     29     -14.1035      1.00000
     30     -14.0921      1.00000
     31     -12.8338      1.00000
     32     -12.8061      1.00000
     33      -8.9191      1.00000
     34      -8.9110      1.00000
     35      -6.0259      1.00000
     36      -6.0159      1.00000
     37      -5.5958      1.00000
     38      -5.5342      1.00000
     39      -4.6797      1.00000
     40      -4.6080      1.00000
     41      -4.0881      1.00000
     42      -4.0327      1.00000
     43      -3.5524      1.00000
     44      -3.4841      1.00000
     45      -3.2032      1.00000
     46      -3.1823      1.00000
     47      -2.8479      1.00000
     48      -2.8376      1.00000
     49      -2.5667      1.00000
     50      -2.5601      1.00000
     51      -1.3087      0.00000
     52      -1.2785      0.00000
     53      -0.4340      0.00000
     54      -0.3885      0.00000
     55       0.4602      0.00000
     56       0.4684      0.00000
     57       1.0597      0.00000
     58       1.1197      0.00000
     59       1.5875      0.00000
     60       1.6803      0.00000
     61       1.9056      0.00000
     62       1.9859      0.00000
     63       2.4195      0.00000
     64       2.4396      0.00000
     65       2.6122      0.00000
     66       2.6171      0.00000
     67       2.9853      0.00000
     68       3.0047      0.00000
     69       3.2763      0.00000
     70       3.3207      0.00000
     71       3.5883      0.00000
     72       3.6130      0.00000

 k-point   222 :      -0.1875   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3820      1.00000
      2     -36.3807      1.00000
      3     -36.2651      1.00000
      4     -36.2648      1.00000
      5     -23.9392      1.00000
      6     -23.9358      1.00000
      7     -23.9328      1.00000
      8     -23.9309      1.00000
      9     -22.9187      1.00000
     10     -22.9140      1.00000
     11     -22.9013      1.00000
     12     -22.9011      1.00000
     13     -22.8842      1.00000
     14     -22.8835      1.00000
     15     -19.3838      1.00000
     16     -19.3033      1.00000
     17     -19.1765      1.00000
     18     -19.1528      1.00000
     19     -18.3777      1.00000
     20     -18.2820      1.00000
     21     -18.2286      1.00000
     22     -18.1414      1.00000
     23     -18.0312      1.00000
     24     -18.0102      1.00000
     25     -17.8936      1.00000
     26     -17.8855      1.00000
     27     -14.8128      1.00000
     28     -14.8038      1.00000
     29     -14.1681      1.00000
     30     -14.1549      1.00000
     31     -12.8610      1.00000
     32     -12.8354      1.00000
     33      -8.7253      1.00000
     34      -8.7196      1.00000
     35      -5.7135      1.00000
     36      -5.6943      1.00000
     37      -5.4896      1.00000
     38      -5.4203      1.00000
     39      -4.3792      1.00000
     40      -4.3131      1.00000
     41      -3.9607      1.00000
     42      -3.9280      1.00000
     43      -3.5440      1.00000
     44      -3.4581      1.00000
     45      -3.2641      1.00000
     46      -3.2471      1.00000
     47      -2.8651      1.00000
     48      -2.8398      1.00000
     49      -2.5882      1.00000
     50      -2.5799      1.00000
     51      -1.1954      0.00000
     52      -1.1646      0.00000
     53      -0.7488      0.00000
     54      -0.7050      0.00000
     55       0.5109      0.00000
     56       0.5215      0.00000
     57       1.1589      0.00000
     58       1.2275      0.00000
     59       1.6277      0.00000
     60       1.6950      0.00000
     61       1.8228      0.00000
     62       1.8576      0.00000
     63       2.1919      0.00000
     64       2.2443      0.00000
     65       2.4053      0.00000
     66       2.4627      0.00000
     67       2.7974      0.00000
     68       2.8376      0.00000
     69       3.2295      0.00000
     70       3.2409      0.00000
     71       3.3285      0.00000
     72       3.3883      0.00000

 k-point   223 :      -0.1250   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3890      1.00000
      2     -36.3877      1.00000
      3     -36.2681      1.00000
      4     -36.2679      1.00000
      5     -23.9389      1.00000
      6     -23.9363      1.00000
      7     -23.9327      1.00000
      8     -23.9313      1.00000
      9     -22.9175      1.00000
     10     -22.9129      1.00000
     11     -22.9011      1.00000
     12     -22.9004      1.00000
     13     -22.8862      1.00000
     14     -22.8855      1.00000
     15     -19.3761      1.00000
     16     -19.3027      1.00000
     17     -19.1349      1.00000
     18     -19.1203      1.00000
     19     -18.3686      1.00000
     20     -18.2811      1.00000
     21     -18.1647      1.00000
     22     -18.1118      1.00000
     23     -18.0042      1.00000
     24     -17.9743      1.00000
     25     -17.8797      1.00000
     26     -17.8736      1.00000
     27     -15.0009      1.00000
     28     -14.9913      1.00000
     29     -14.2484      1.00000
     30     -14.2342      1.00000
     31     -12.8920      1.00000
     32     -12.8690      1.00000
     33      -8.5607      1.00000
     34      -8.5576      1.00000
     35      -5.4619      1.00000
     36      -5.4485      1.00000
     37      -5.1525      1.00000
     38      -5.0814      1.00000
     39      -4.2252      1.00000
     40      -4.1167      1.00000
     41      -3.7809      1.00000
     42      -3.7075      1.00000
     43      -3.4508      1.00000
     44      -3.3758      1.00000
     45      -3.3249      1.00000
     46      -3.3105      1.00000
     47      -2.8566      1.00000
     48      -2.8209      1.00000
     49      -2.6108      1.00000
     50      -2.6033      1.00000
     51      -1.1657      0.00000
     52      -1.1386      0.00000
     53      -1.0291      0.00000
     54      -0.9886      0.00000
     55       0.5793      0.00000
     56       0.5956      0.00000
     57       1.3170      0.00000
     58       1.3471      0.00000
     59       1.4603      0.00000
     60       1.5602      0.00000
     61       1.6735      0.00000
     62       1.7068      0.00000
     63       1.9877      0.00000
     64       2.0236      0.00000
     65       2.3869      0.00000
     66       2.4357      0.00000
     67       2.6651      0.00000
     68       2.7051      0.00000
     69       2.9895      0.00000
     70       3.0130      0.00000
     71       3.1297      0.00000
     72       3.1944      0.00000

 k-point   224 :      -0.0625   -0.1875    0.0000
  band No.  band energies     occupation 
      1     -36.3955      1.00000
      2     -36.3942      1.00000
      3     -36.2709      1.00000
      4     -36.2707      1.00000
      5     -23.9385      1.00000
      6     -23.9371      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9162      1.00000
     10     -22.9122      1.00000
     11     -22.9007      1.00000
     12     -22.8999      1.00000
     13     -22.8880      1.00000
     14     -22.8874      1.00000
     15     -19.3695      1.00000
     16     -19.3054      1.00000
     17     -19.0953      1.00000
     18     -19.0891      1.00000
     19     -18.3589      1.00000
     20     -18.2809      1.00000
     21     -18.1039      1.00000
     22     -18.0780      1.00000
     23     -17.9789      1.00000
     24     -17.9411      1.00000
     25     -17.8723      1.00000
     26     -17.8606      1.00000
     27     -15.1565      1.00000
     28     -15.1471      1.00000
     29     -14.3264      1.00000
     30     -14.3119      1.00000
     31     -12.9225      1.00000
     32     -12.9023      1.00000
     33      -8.4463      1.00000
     34      -8.4452      1.00000
     35      -5.2430      1.00000
     36      -5.2204      1.00000
     37      -4.6895      1.00000
     38      -4.6072      1.00000
     39      -4.1496      1.00000
     40      -3.9823      1.00000
     41      -3.7667      1.00000
     42      -3.6832      1.00000
     43      -3.4123      1.00000
     44      -3.4054      1.00000
     45      -3.1155      1.00000
     46      -3.0758      1.00000
     47      -2.8620      1.00000
     48      -2.8233      1.00000
     49      -2.6160      1.00000
     50      -2.6119      1.00000
     51      -1.2944      0.00000
     52      -1.2565      0.00000
     53      -1.1383      0.00000
     54      -1.1143      0.00000
     55       0.6551      0.00000
     56       0.6750      0.00000
     57       1.0413      0.00000
     58       1.0539      0.00000
     59       1.3830      0.00000
     60       1.4223      0.00000
     61       1.8355      0.00000
     62       1.9028      0.00000
     63       1.9636      0.00000
     64       1.9894      0.00000
     65       2.3824      0.00000
     66       2.4505      0.00000
     67       2.4936      0.00000
     68       2.5301      0.00000
     69       2.7710      0.00000
     70       2.8127      0.00000
     71       2.8632      0.00000
     72       2.9077      0.00000

 k-point   225 :       0.0000   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.4073      1.00000
      2     -36.4061      1.00000
      3     -36.2763      1.00000
      4     -36.2760      1.00000
      5     -23.9385      1.00000
      6     -23.9383      1.00000
      7     -23.9325      1.00000
      8     -23.9313      1.00000
      9     -22.9144      1.00000
     10     -22.9123      1.00000
     11     -22.8983      1.00000
     12     -22.8980      1.00000
     13     -22.8913      1.00000
     14     -22.8913      1.00000
     15     -19.3570      1.00000
     16     -19.3187      1.00000
     17     -19.0284      1.00000
     18     -19.0245      1.00000
     19     -18.3304      1.00000
     20     -18.2835      1.00000
     21     -17.9982      1.00000
     22     -17.9970      1.00000
     23     -17.9204      1.00000
     24     -17.8864      1.00000
     25     -17.8557      1.00000
     26     -17.8418      1.00000
     27     -15.4109      1.00000
     28     -15.4040      1.00000
     29     -14.4733      1.00000
     30     -14.4620      1.00000
     31     -12.9849      1.00000
     32     -12.9710      1.00000
     33      -8.3231      1.00000
     34      -8.3204      1.00000
     35      -4.5729      1.00000
     36      -4.4369      1.00000
     37      -4.1264      1.00000
     38      -3.9787      1.00000
     39      -3.7274      1.00000
     40      -3.6562      1.00000
     41      -3.5014      1.00000
     42      -3.4766      1.00000
     43      -3.3600      1.00000
     44      -3.3337      1.00000
     45      -2.9312      1.00000
     46      -2.9220      1.00000
     47      -2.8559      1.00000
     48      -2.8415      1.00000
     49      -2.6129      1.00000
     50      -2.6105      1.00000
     51      -1.6986      1.00000
     52      -1.6520      1.00000
     53      -1.0844      0.00000
     54      -1.0423      0.00000
     55       0.6204      0.00000
     56       0.6757      0.00000
     57       0.9165      0.00000
     58       0.9357      0.00000
     59       1.2902      0.00000
     60       1.3265      0.00000
     61       1.5100      0.00000
     62       1.5260      0.00000
     63       1.8694      0.00000
     64       1.8732      0.00000
     65       2.0033      0.00000
     66       2.0109      0.00000
     67       2.3702      0.00000
     68       2.3745      0.00000
     69       2.4936      0.00000
     70       2.4951      0.00000
     71       2.5499      0.00000
     72       2.5553      0.00000

 k-point   226 :       0.0625   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.4088      1.00000
      2     -36.4076      1.00000
      3     -36.2770      1.00000
      4     -36.2767      1.00000
      5     -23.9387      1.00000
      6     -23.9384      1.00000
      7     -23.9324      1.00000
      8     -23.9313      1.00000
      9     -22.9144      1.00000
     10     -22.9125      1.00000
     11     -22.8979      1.00000
     12     -22.8976      1.00000
     13     -22.8919      1.00000
     14     -22.8916      1.00000
     15     -19.3548      1.00000
     16     -19.3218      1.00000
     17     -19.0205      1.00000
     18     -19.0163      1.00000
     19     -18.3256      1.00000
     20     -18.2845      1.00000
     21     -17.9865      1.00000
     22     -17.9820      1.00000
     23     -17.9141      1.00000
     24     -17.8855      1.00000
     25     -17.8486      1.00000
     26     -17.8373      1.00000
     27     -15.4406      1.00000
     28     -15.4343      1.00000
     29     -14.4919      1.00000
     30     -14.4817      1.00000
     31     -12.9930      1.00000
     32     -12.9813      1.00000
     33      -8.3151      1.00000
     34      -8.3124      1.00000
     35      -4.5218      1.00000
     36      -4.4070      1.00000
     37      -3.9523      1.00000
     38      -3.7659      1.00000
     39      -3.7557      1.00000
     40      -3.7259      1.00000
     41      -3.5166      1.00000
     42      -3.4608      1.00000
     43      -3.1102      1.00000
     44      -3.0750      1.00000
     45      -3.0060      1.00000
     46      -2.9851      1.00000
     47      -2.8438      1.00000
     48      -2.8340      1.00000
     49      -2.6416      1.00000
     50      -2.6369      1.00000
     51      -1.7597      1.00000
     52      -1.7046      1.00000
     53      -1.1297      0.00000
     54      -1.0830      0.00000
     55       0.6513      0.00000
     56       0.6932      0.00000
     57       0.8057      0.00000
     58       0.8375      0.00000
     59       1.3333      0.00000
     60       1.3812      0.00000
     61       1.4270      0.00000
     62       1.4503      0.00000
     63       1.7849      0.00000
     64       1.8904      0.00000
     65       1.9316      0.00000
     66       1.9839      0.00000
     67       2.3198      0.00000
     68       2.3291      0.00000
     69       2.3893      0.00000
     70       2.4002      0.00000
     71       2.5822      0.00000
     72       2.6122      0.00000

 k-point   227 :       0.1250   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.4073      1.00000
      2     -36.4061      1.00000
      3     -36.2763      1.00000
      4     -36.2760      1.00000
      5     -23.9385      1.00000
      6     -23.9383      1.00000
      7     -23.9325      1.00000
      8     -23.9313      1.00000
      9     -22.9145      1.00000
     10     -22.9123      1.00000
     11     -22.8983      1.00000
     12     -22.8980      1.00000
     13     -22.8913      1.00000
     14     -22.8913      1.00000
     15     -19.3566      1.00000
     16     -19.3190      1.00000
     17     -19.0283      1.00000
     18     -19.0246      1.00000
     19     -18.3307      1.00000
     20     -18.2833      1.00000
     21     -17.9980      1.00000
     22     -17.9971      1.00000
     23     -17.9205      1.00000
     24     -17.8863      1.00000
     25     -17.8557      1.00000
     26     -17.8418      1.00000
     27     -15.4109      1.00000
     28     -15.4039      1.00000
     29     -14.4733      1.00000
     30     -14.4620      1.00000
     31     -12.9842      1.00000
     32     -12.9718      1.00000
     33      -8.3232      1.00000
     34      -8.3204      1.00000
     35      -4.5730      1.00000
     36      -4.4367      1.00000
     37      -4.1264      1.00000
     38      -3.9788      1.00000
     39      -3.7269      1.00000
     40      -3.6569      1.00000
     41      -3.5020      1.00000
     42      -3.4757      1.00000
     43      -3.3609      1.00000
     44      -3.3326      1.00000
     45      -2.9312      1.00000
     46      -2.9221      1.00000
     47      -2.8563      1.00000
     48      -2.8410      1.00000
     49      -2.6132      1.00000
     50      -2.6103      1.00000
     51      -1.7048      1.00000
     52      -1.6456      1.00000
     53      -1.0849      0.00000
     54      -1.0419      0.00000
     55       0.6216      0.00000
     56       0.6737      0.00000
     57       0.9235      0.00000
     58       0.9297      0.00000
     59       1.2891      0.00000
     60       1.3271      0.00000
     61       1.5083      0.00000
     62       1.5284      0.00000
     63       1.8696      0.00000
     64       1.8723      0.00000
     65       2.0049      0.00000
     66       2.0097      0.00000
     67       2.3695      0.00000
     68       2.3751      0.00000
     69       2.4940      0.00000
     70       2.4948      0.00000
     71       2.5490      0.00000
     72       2.5560      0.00000

 k-point   228 :       0.1875   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.4031      1.00000
      2     -36.4018      1.00000
      3     -36.2743      1.00000
      4     -36.2741      1.00000
      5     -23.9384      1.00000
      6     -23.9377      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9149      1.00000
     10     -22.9118      1.00000
     11     -22.8995      1.00000
     12     -22.8988      1.00000
     13     -22.8903      1.00000
     14     -22.8899      1.00000
     15     -19.3613      1.00000
     16     -19.3125      1.00000
     17     -19.0504      1.00000
     18     -19.0488      1.00000
     19     -18.3427      1.00000
     20     -18.2815      1.00000
     21     -18.0397      1.00000
     22     -18.0275      1.00000
     23     -17.9407      1.00000
     24     -17.8970      1.00000
     25     -17.8707      1.00000
     26     -17.8503      1.00000
     27     -15.3234      1.00000
     28     -15.3150      1.00000
     29     -14.4199      1.00000
     30     -14.4066      1.00000
     31     -12.9605      1.00000
     32     -12.9452      1.00000
     33      -8.3540      1.00000
     34      -8.3515      1.00000
     35      -4.7500      1.00000
     36      -4.6456      1.00000
     37      -4.3169      1.00000
     38      -4.2481      1.00000
     39      -4.1094      1.00000
     40      -3.9190      1.00000
     41      -3.5477      1.00000
     42      -3.5217      1.00000
     43      -3.3452      1.00000
     44      -3.3218      1.00000
     45      -3.0639      1.00000
     46      -3.0288      1.00000
     47      -2.8602      1.00000
     48      -2.8274      1.00000
     49      -2.6395      1.00000
     50      -2.6371      1.00000
     51      -1.5510      0.96229
     52      -1.4902      0.52323
     53      -1.0220      0.00000
     54      -0.9815      0.00000
     55       0.7762      0.00000
     56       0.8329      0.00000
     57       1.0597      0.00000
     58       1.0759      0.00000
     59       1.1748      0.00000
     60       1.2137      0.00000
     61       1.5174      0.00000
     62       1.5741      0.00000
     63       1.9310      0.00000
     64       2.0543      0.00000
     65       2.1419      0.00000
     66       2.1555      0.00000
     67       2.3973      0.00000
     68       2.4465      0.00000
     69       2.5544      0.00000
     70       2.5761      0.00000
     71       2.6765      0.00000
     72       2.6932      0.00000

 k-point   229 :       0.2500   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.3967      1.00000
      2     -36.3954      1.00000
      3     -36.2714      1.00000
      4     -36.2712      1.00000
      5     -23.9386      1.00000
      6     -23.9368      1.00000
      7     -23.9329      1.00000
      8     -23.9314      1.00000
      9     -22.9160      1.00000
     10     -22.9117      1.00000
     11     -22.9007      1.00000
     12     -22.8996      1.00000
     13     -22.8886      1.00000
     14     -22.8879      1.00000
     15     -19.3678      1.00000
     16     -19.3062      1.00000
     17     -19.0876      1.00000
     18     -19.0824      1.00000
     19     -18.3566      1.00000
     20     -18.2805      1.00000
     21     -18.0988      1.00000
     22     -18.0691      1.00000
     23     -17.9708      1.00000
     24     -17.9316      1.00000
     25     -17.8757      1.00000
     26     -17.8611      1.00000
     27     -15.1833      1.00000
     28     -15.1739      1.00000
     29     -14.3402      1.00000
     30     -14.3258      1.00000
     31     -12.9272      1.00000
     32     -12.9087      1.00000
     33      -8.4260      1.00000
     34      -8.4243      1.00000
     35      -5.0132      1.00000
     36      -4.9751      1.00000
     37      -4.8307      1.00000
     38      -4.7809      1.00000
     39      -4.1474      1.00000
     40      -4.0163      1.00000
     41      -3.5202      1.00000
     42      -3.5082      1.00000
     43      -3.4005      1.00000
     44      -3.3921      1.00000
     45      -3.3224      1.00000
     46      -3.2570      1.00000
     47      -2.8562      1.00000
     48      -2.8150      1.00000
     49      -2.6388      1.00000
     50      -2.6336      1.00000
     51      -1.3321      0.00001
     52      -1.2696      0.00000
     53      -1.0282      0.00000
     54      -0.9901      0.00000
     55       0.7897      0.00000
     56       0.8265      0.00000
     57       1.1409      0.00000
     58       1.1567      0.00000
     59       1.4013      0.00000
     60       1.4456      0.00000
     61       1.6132      0.00000
     62       1.6393      0.00000
     63       1.7901      0.00000
     64       1.8322      0.00000
     65       2.3506      0.00000
     66       2.3664      0.00000
     67       2.5027      0.00000
     68       2.5232      0.00000
     69       2.7791      0.00000
     70       2.7936      0.00000
     71       2.8321      0.00000
     72       2.8725      0.00000

 k-point   230 :       0.3125   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.3890      1.00000
      2     -36.3877      1.00000
      3     -36.2681      1.00000
      4     -36.2679      1.00000
      5     -23.9389      1.00000
      6     -23.9363      1.00000
      7     -23.9327      1.00000
      8     -23.9313      1.00000
      9     -22.9175      1.00000
     10     -22.9129      1.00000
     11     -22.9011      1.00000
     12     -22.9004      1.00000
     13     -22.8862      1.00000
     14     -22.8855      1.00000
     15     -19.3756      1.00000
     16     -19.3032      1.00000
     17     -19.1350      1.00000
     18     -19.1202      1.00000
     19     -18.3691      1.00000
     20     -18.2808      1.00000
     21     -18.1645      1.00000
     22     -18.1118      1.00000
     23     -18.0041      1.00000
     24     -17.9742      1.00000
     25     -17.8797      1.00000
     26     -17.8737      1.00000
     27     -15.0009      1.00000
     28     -14.9913      1.00000
     29     -14.2484      1.00000
     30     -14.2342      1.00000
     31     -12.8910      1.00000
     32     -12.8701      1.00000
     33      -8.5607      1.00000
     34      -8.5576      1.00000
     35      -5.4620      1.00000
     36      -5.4485      1.00000
     37      -5.1525      1.00000
     38      -5.0814      1.00000
     39      -4.2252      1.00000
     40      -4.1167      1.00000
     41      -3.7809      1.00000
     42      -3.7075      1.00000
     43      -3.4504      1.00000
     44      -3.3769      1.00000
     45      -3.3244      1.00000
     46      -3.3104      1.00000
     47      -2.8576      1.00000
     48      -2.8199      1.00000
     49      -2.6108      1.00000
     50      -2.6033      1.00000
     51      -1.1678      0.00000
     52      -1.1362      0.00000
     53      -1.0430      0.00000
     54      -0.9747      0.00000
     55       0.5793      0.00000
     56       0.5955      0.00000
     57       1.3172      0.00000
     58       1.3459      0.00000
     59       1.4626      0.00000
     60       1.5597      0.00000
     61       1.6670      0.00000
     62       1.7121      0.00000
     63       1.9923      0.00000
     64       2.0194      0.00000
     65       2.3846      0.00000
     66       2.4377      0.00000
     67       2.6752      0.00000
     68       2.6947      0.00000
     69       2.9929      0.00000
     70       3.0097      0.00000
     71       3.1310      0.00000
     72       3.1935      0.00000

 k-point   231 :       0.3750   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.3813      1.00000
      2     -36.3800      1.00000
      3     -36.2648      1.00000
      4     -36.2646      1.00000
      5     -23.9392      1.00000
      6     -23.9365      1.00000
      7     -23.9322      1.00000
      8     -23.9308      1.00000
      9     -22.9192      1.00000
     10     -22.9150      1.00000
     11     -22.9012      1.00000
     12     -22.9009      1.00000
     13     -22.8835      1.00000
     14     -22.8828      1.00000
     15     -19.3839      1.00000
     16     -19.3065      1.00000
     17     -19.1825      1.00000
     18     -19.1579      1.00000
     19     -18.3788      1.00000
     20     -18.2852      1.00000
     21     -18.2238      1.00000
     22     -18.1470      1.00000
     23     -18.0366      1.00000
     24     -18.0127      1.00000
     25     -17.8896      1.00000
     26     -17.8827      1.00000
     27     -14.7929      1.00000
     28     -14.7841      1.00000
     29     -14.1630      1.00000
     30     -14.1504      1.00000
     31     -12.8574      1.00000
     32     -12.8356      1.00000
     33      -8.7576      1.00000
     34      -8.7520      1.00000
     35      -5.9122      1.00000
     36      -5.9021      1.00000
     37      -5.2854      1.00000
     38      -5.2118      1.00000
     39      -4.4870      1.00000
     40      -4.3768      1.00000
     41      -3.9185      1.00000
     42      -3.8323      1.00000
     43      -3.4959      1.00000
     44      -3.4097      1.00000
     45      -3.2495      1.00000
     46      -3.2154      1.00000
     47      -2.8382      1.00000
     48      -2.8131      1.00000
     49      -2.5801      1.00000
     50      -2.5727      1.00000
     51      -1.3656      0.00026
     52      -1.3390      0.00001
     53      -0.7465      0.00000
     54      -0.6692      0.00000
     55       0.3984      0.00000
     56       0.4074      0.00000
     57       1.2824      0.00000
     58       1.3497      0.00000
     59       1.4338      0.00000
     60       1.4931      0.00000
     61       1.8426      0.00000
     62       1.8966      0.00000
     63       2.2414      0.00000
     64       2.2742      0.00000
     65       2.4851      0.00000
     66       2.5247      0.00000
     67       2.8849      0.00000
     68       2.9032      0.00000
     69       3.1711      0.00000
     70       3.1981      0.00000
     71       3.3544      0.00000
     72       3.3630      0.00000

 k-point   232 :       0.4375   -0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.3747      1.00000
      2     -36.3734      1.00000
      3     -36.2621      1.00000
      4     -36.2619      1.00000
      5     -23.9395      1.00000
      6     -23.9371      1.00000
      7     -23.9317      1.00000
      8     -23.9301      1.00000
      9     -22.9206      1.00000
     10     -22.9172      1.00000
     11     -22.9016      1.00000
     12     -22.9007      1.00000
     13     -22.8811      1.00000
     14     -22.8804      1.00000
     15     -19.3906      1.00000
     16     -19.3186      1.00000
     17     -19.2181      1.00000
     18     -19.1905      1.00000
     19     -18.3852      1.00000
     20     -18.3047      1.00000
     21     -18.2573      1.00000
     22     -18.1706      1.00000
     23     -18.0671      1.00000
     24     -18.0376      1.00000
     25     -17.9026      1.00000
     26     -17.8880      1.00000
     27     -14.5842      1.00000
     28     -14.5772      1.00000
     29     -14.1045      1.00000
     30     -14.0945      1.00000
     31     -12.8305      1.00000
     32     -12.8088      1.00000
     33      -8.9767      1.00000
     34      -8.9698      1.00000
     35      -6.2421      1.00000
     36      -6.2345      1.00000
     37      -5.3445      1.00000
     38      -5.2475      1.00000
     39      -4.7750      1.00000
     40      -4.6443      1.00000
     41      -3.9439      1.00000
     42      -3.8694      1.00000
     43      -3.5220      1.00000
     44      -3.4380      1.00000
     45      -3.2545      1.00000
     46      -3.2058      1.00000
     47      -2.7501      1.00000
     48      -2.7380      1.00000
     49      -2.5568      1.00000
     50      -2.5505      1.00000
     51      -1.5881      0.99765
     52      -1.5612      0.98064
     53      -0.4213      0.00000
     54      -0.3399      0.00000
     55       0.2752      0.00000
     56       0.2793      0.00000
     57       1.1999      0.00000
     58       1.2355      0.00000
     59       1.4439      0.00000
     60       1.4877      0.00000
     61       1.8800      0.00000
     62       1.9332      0.00000
     63       2.3108      0.00000
     64       2.3715      0.00000
     65       2.6955      0.00000
     66       2.7264      0.00000
     67       3.0582      0.00000
     68       3.0736      0.00000
     69       3.2449      0.00000
     70       3.2708      0.00000
     71       3.6760      0.00000
     72       3.6906      0.00000

 k-point   233 :       0.5000   -0.1250   -0.0000
  band No.  band energies     occupation 
      1     -36.3703      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9397      1.00000
      6     -23.9378      1.00000
      7     -23.9313      1.00000
      8     -23.9295      1.00000
      9     -22.9214      1.00000
     10     -22.9189      1.00000
     11     -22.9019      1.00000
     12     -22.9005      1.00000
     13     -22.8794      1.00000
     14     -22.8787      1.00000
     15     -19.3934      1.00000
     16     -19.3365      1.00000
     17     -19.2345      1.00000
     18     -19.2139      1.00000
     19     -18.3880      1.00000
     20     -18.3330      1.00000
     21     -18.2651      1.00000
     22     -18.1829      1.00000
     23     -18.0902      1.00000
     24     -18.0489      1.00000
     25     -17.9126      1.00000
     26     -17.8919      1.00000
     27     -14.4115      1.00000
     28     -14.4073      1.00000
     29     -14.0867      1.00000
     30     -14.0794      1.00000
     31     -12.8129      1.00000
     32     -12.7917      1.00000
     33      -9.1503      1.00000
     34      -9.1431      1.00000
     35      -6.4409      1.00000
     36      -6.4352      1.00000
     37      -5.3706      1.00000
     38      -5.2293      1.00000
     39      -4.9799      1.00000
     40      -4.8049      1.00000
     41      -3.9276      1.00000
     42      -3.8598      1.00000
     43      -3.5637      1.00000
     44      -3.4972      1.00000
     45      -3.2791      1.00000
     46      -3.2396      1.00000
     47      -2.6541      1.00000
     48      -2.6435      1.00000
     49      -2.5457      1.00000
     50      -2.5351      1.00000
     51      -1.7536      1.00000
     52      -1.7263      1.00000
     53      -0.1245      0.00000
     54      -0.0525      0.00000
     55       0.2140      0.00000
     56       0.2159      0.00000
     57       1.0872      0.00000
     58       1.1188      0.00000
     59       1.4369      0.00000
     60       1.4704      0.00000
     61       1.8961      0.00000
     62       1.9373      0.00000
     63       2.1957      0.00000
     64       2.3082      0.00000
     65       2.8114      0.00000
     66       2.8601      0.00000
     67       3.2300      0.00000
     68       3.2579      0.00000
     69       3.4042      0.00000
     70       3.4367      0.00000
     71       3.7854      0.00000
     72       3.8064      0.00000

 k-point   234 :      -0.4375   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.3687      1.00000
      2     -36.3673      1.00000
      3     -36.2596      1.00000
      4     -36.2595      1.00000
      5     -23.9397      1.00000
      6     -23.9381      1.00000
      7     -23.9312      1.00000
      8     -23.9292      1.00000
      9     -22.9216      1.00000
     10     -22.9196      1.00000
     11     -22.9020      1.00000
     12     -22.9004      1.00000
     13     -22.8789      1.00000
     14     -22.8781      1.00000
     15     -19.3935      1.00000
     16     -19.3456      1.00000
     17     -19.2374      1.00000
     18     -19.2235      1.00000
     19     -18.3880      1.00000
     20     -18.3453      1.00000
     21     -18.2665      1.00000
     22     -18.1863      1.00000
     23     -18.0989      1.00000
     24     -18.0519      1.00000
     25     -17.9163      1.00000
     26     -17.8934      1.00000
     27     -14.3352      1.00000
     28     -14.3336      1.00000
     29     -14.0929      1.00000
     30     -14.0866      1.00000
     31     -12.8069      1.00000
     32     -12.7857      1.00000
     33      -9.2164      1.00000
     34      -9.2093      1.00000
     35      -6.5074      1.00000
     36      -6.5023      1.00000
     37      -5.3806      1.00000
     38      -5.2070      1.00000
     39      -5.0612      1.00000
     40      -4.8536      1.00000
     41      -3.9071      1.00000
     42      -3.8391      1.00000
     43      -3.6008      1.00000
     44      -3.5439      1.00000
     45      -3.2807      1.00000
     46      -3.2512      1.00000
     47      -2.6192      1.00000
     48      -2.6011      1.00000
     49      -2.5447      1.00000
     50      -2.5272      1.00000
     51      -1.8144      1.00000
     52      -1.7872      1.00000
     53       0.0149      0.00000
     54       0.0495      0.00000
     55       0.2114      0.00000
     56       0.2201      0.00000
     57       1.0046      0.00000
     58       1.0506      0.00000
     59       1.4300      0.00000
     60       1.4621      0.00000
     61       1.9113      0.00000
     62       1.9570      0.00000
     63       2.1148      0.00000
     64       2.2597      0.00000
     65       2.8384      0.00000
     66       2.8906      0.00000
     67       3.2582      0.00000
     68       3.2887      0.00000
     69       3.5245      0.00000
     70       3.5565      0.00000
     71       3.8897      0.00000
     72       3.9167      0.00000

 k-point   235 :      -0.3750   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9397      1.00000
      6     -23.9378      1.00000
      7     -23.9314      1.00000
      8     -23.9295      1.00000
      9     -22.9214      1.00000
     10     -22.9189      1.00000
     11     -22.9019      1.00000
     12     -22.9005      1.00000
     13     -22.8794      1.00000
     14     -22.8787      1.00000
     15     -19.3938      1.00000
     16     -19.3361      1.00000
     17     -19.2345      1.00000
     18     -19.2140      1.00000
     19     -18.3876      1.00000
     20     -18.3334      1.00000
     21     -18.2651      1.00000
     22     -18.1829      1.00000
     23     -18.0903      1.00000
     24     -18.0489      1.00000
     25     -17.9125      1.00000
     26     -17.8919      1.00000
     27     -14.4114      1.00000
     28     -14.4074      1.00000
     29     -14.0867      1.00000
     30     -14.0794      1.00000
     31     -12.8133      1.00000
     32     -12.7912      1.00000
     33      -9.1503      1.00000
     34      -9.1431      1.00000
     35      -6.4409      1.00000
     36      -6.4352      1.00000
     37      -5.3706      1.00000
     38      -5.2293      1.00000
     39      -4.9799      1.00000
     40      -4.8049      1.00000
     41      -3.9276      1.00000
     42      -3.8598      1.00000
     43      -3.5637      1.00000
     44      -3.4972      1.00000
     45      -3.2793      1.00000
     46      -3.2394      1.00000
     47      -2.6539      1.00000
     48      -2.6436      1.00000
     49      -2.5450      1.00000
     50      -2.5358      1.00000
     51      -1.7536      1.00000
     52      -1.7263      1.00000
     53      -0.1059      0.00000
     54      -0.0712      0.00000
     55       0.2123      0.00000
     56       0.2175      0.00000
     57       1.0785      0.00000
     58       1.1265      0.00000
     59       1.4374      0.00000
     60       1.4710      0.00000
     61       1.8960      0.00000
     62       1.9371      0.00000
     63       2.1967      0.00000
     64       2.3073      0.00000
     65       2.8103      0.00000
     66       2.8612      0.00000
     67       3.2321      0.00000
     68       3.2561      0.00000
     69       3.4062      0.00000
     70       3.4348      0.00000
     71       3.7932      0.00000
     72       3.7986      0.00000

 k-point   236 :      -0.3125   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.3747      1.00000
      2     -36.3734      1.00000
      3     -36.2621      1.00000
      4     -36.2619      1.00000
      5     -23.9396      1.00000
      6     -23.9371      1.00000
      7     -23.9317      1.00000
      8     -23.9300      1.00000
      9     -22.9206      1.00000
     10     -22.9172      1.00000
     11     -22.9016      1.00000
     12     -22.9007      1.00000
     13     -22.8811      1.00000
     14     -22.8804      1.00000
     15     -19.3912      1.00000
     16     -19.3180      1.00000
     17     -19.2180      1.00000
     18     -19.1906      1.00000
     19     -18.3846      1.00000
     20     -18.3052      1.00000
     21     -18.2573      1.00000
     22     -18.1706      1.00000
     23     -18.0672      1.00000
     24     -18.0377      1.00000
     25     -17.9026      1.00000
     26     -17.8880      1.00000
     27     -14.5842      1.00000
     28     -14.5773      1.00000
     29     -14.1045      1.00000
     30     -14.0945      1.00000
     31     -12.8313      1.00000
     32     -12.8080      1.00000
     33      -8.9768      1.00000
     34      -8.9697      1.00000
     35      -6.2421      1.00000
     36      -6.2345      1.00000
     37      -5.3445      1.00000
     38      -5.2475      1.00000
     39      -4.7750      1.00000
     40      -4.6443      1.00000
     41      -3.9440      1.00000
     42      -3.8694      1.00000
     43      -3.5220      1.00000
     44      -3.4380      1.00000
     45      -3.2548      1.00000
     46      -3.2055      1.00000
     47      -2.7485      1.00000
     48      -2.7395      1.00000
     49      -2.5556      1.00000
     50      -2.5517      1.00000
     51      -1.5881      0.99765
     52      -1.5612      0.98065
     53      -0.4002      0.00000
     54      -0.3614      0.00000
     55       0.2758      0.00000
     56       0.2787      0.00000
     57       1.1996      0.00000
     58       1.2342      0.00000
     59       1.4442      0.00000
     60       1.4891      0.00000
     61       1.8802      0.00000
     62       1.9328      0.00000
     63       2.3132      0.00000
     64       2.3690      0.00000
     65       2.6957      0.00000
     66       2.7270      0.00000
     67       3.0626      0.00000
     68       3.0683      0.00000
     69       3.2441      0.00000
     70       3.2721      0.00000
     71       3.6766      0.00000
     72       3.6902      0.00000

 k-point   237 :      -0.2500   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.3813      1.00000
      2     -36.3800      1.00000
      3     -36.2648      1.00000
      4     -36.2646      1.00000
      5     -23.9393      1.00000
      6     -23.9365      1.00000
      7     -23.9322      1.00000
      8     -23.9307      1.00000
      9     -22.9192      1.00000
     10     -22.9150      1.00000
     11     -22.9011      1.00000
     12     -22.9009      1.00000
     13     -22.8835      1.00000
     14     -22.8828      1.00000
     15     -19.3845      1.00000
     16     -19.3059      1.00000
     17     -19.1824      1.00000
     18     -19.1580      1.00000
     19     -18.3781      1.00000
     20     -18.2856      1.00000
     21     -18.2240      1.00000
     22     -18.1470      1.00000
     23     -18.0367      1.00000
     24     -18.0128      1.00000
     25     -17.8896      1.00000
     26     -17.8826      1.00000
     27     -14.7928      1.00000
     28     -14.7841      1.00000
     29     -14.1630      1.00000
     30     -14.1504      1.00000
     31     -12.8585      1.00000
     32     -12.8345      1.00000
     33      -8.7576      1.00000
     34      -8.7520      1.00000
     35      -5.9122      1.00000
     36      -5.9021      1.00000
     37      -5.2854      1.00000
     38      -5.2118      1.00000
     39      -4.4870      1.00000
     40      -4.3768      1.00000
     41      -3.9186      1.00000
     42      -3.8323      1.00000
     43      -3.4960      1.00000
     44      -3.4096      1.00000
     45      -3.2503      1.00000
     46      -3.2146      1.00000
     47      -2.8368      1.00000
     48      -2.8144      1.00000
     49      -2.5796      1.00000
     50      -2.5732      1.00000
     51      -1.3655      0.00026
     52      -1.3391      0.00001
     53      -0.7273      0.00000
     54      -0.6889      0.00000
     55       0.3990      0.00000
     56       0.4068      0.00000
     57       1.2827      0.00000
     58       1.3488      0.00000
     59       1.4333      0.00000
     60       1.4943      0.00000
     61       1.8441      0.00000
     62       1.8948      0.00000
     63       2.2445      0.00000
     64       2.2713      0.00000
     65       2.4873      0.00000
     66       2.5231      0.00000
     67       2.8796      0.00000
     68       2.9081      0.00000
     69       3.1686      0.00000
     70       3.2010      0.00000
     71       3.3544      0.00000
     72       3.3627      0.00000

 k-point   238 :      -0.1875   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.3890      1.00000
      2     -36.3877      1.00000
      3     -36.2681      1.00000
      4     -36.2679      1.00000
      5     -23.9389      1.00000
      6     -23.9363      1.00000
      7     -23.9327      1.00000
      8     -23.9312      1.00000
      9     -22.9175      1.00000
     10     -22.9129      1.00000
     11     -22.9011      1.00000
     12     -22.9004      1.00000
     13     -22.8862      1.00000
     14     -22.8855      1.00000
     15     -19.3762      1.00000
     16     -19.3026      1.00000
     17     -19.1348      1.00000
     18     -19.1204      1.00000
     19     -18.3684      1.00000
     20     -18.2812      1.00000
     21     -18.1647      1.00000
     22     -18.1118      1.00000
     23     -18.0042      1.00000
     24     -17.9743      1.00000
     25     -17.8798      1.00000
     26     -17.8735      1.00000
     27     -15.0008      1.00000
     28     -14.9913      1.00000
     29     -14.2484      1.00000
     30     -14.2342      1.00000
     31     -12.8922      1.00000
     32     -12.8689      1.00000
     33      -8.5607      1.00000
     34      -8.5576      1.00000
     35      -5.4620      1.00000
     36      -5.4484      1.00000
     37      -5.1525      1.00000
     38      -5.0814      1.00000
     39      -4.2252      1.00000
     40      -4.1167      1.00000
     41      -3.7809      1.00000
     42      -3.7075      1.00000
     43      -3.4504      1.00000
     44      -3.3767      1.00000
     45      -3.3264      1.00000
     46      -3.3085      1.00000
     47      -2.8567      1.00000
     48      -2.8208      1.00000
     49      -2.6106      1.00000
     50      -2.6035      1.00000
     51      -1.1666      0.00000
     52      -1.1374      0.00000
     53      -1.0271      0.00000
     54      -0.9910      0.00000
     55       0.5795      0.00000
     56       0.5954      0.00000
     57       1.3148      0.00000
     58       1.3484      0.00000
     59       1.4635      0.00000
     60       1.5591      0.00000
     61       1.6711      0.00000
     62       1.7068      0.00000
     63       1.9986      0.00000
     64       2.0141      0.00000
     65       2.3843      0.00000
     66       2.4381      0.00000
     67       2.6677      0.00000
     68       2.7023      0.00000
     69       2.9936      0.00000
     70       3.0089      0.00000
     71       3.1302      0.00000
     72       3.1943      0.00000

 k-point   239 :      -0.1250   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.3967      1.00000
      2     -36.3954      1.00000
      3     -36.2715      1.00000
      4     -36.2712      1.00000
      5     -23.9386      1.00000
      6     -23.9368      1.00000
      7     -23.9329      1.00000
      8     -23.9314      1.00000
      9     -22.9159      1.00000
     10     -22.9118      1.00000
     11     -22.9007      1.00000
     12     -22.8996      1.00000
     13     -22.8886      1.00000
     14     -22.8879      1.00000
     15     -19.3684      1.00000
     16     -19.3056      1.00000
     17     -19.0874      1.00000
     18     -19.0825      1.00000
     19     -18.3560      1.00000
     20     -18.2808      1.00000
     21     -18.0991      1.00000
     22     -18.0690      1.00000
     23     -17.9708      1.00000
     24     -17.9317      1.00000
     25     -17.8757      1.00000
     26     -17.8610      1.00000
     27     -15.1832      1.00000
     28     -15.1739      1.00000
     29     -14.3402      1.00000
     30     -14.3258      1.00000
     31     -12.9284      1.00000
     32     -12.9074      1.00000
     33      -8.4260      1.00000
     34      -8.4243      1.00000
     35      -5.0131      1.00000
     36      -4.9750      1.00000
     37      -4.8307      1.00000
     38      -4.7810      1.00000
     39      -4.1474      1.00000
     40      -4.0163      1.00000
     41      -3.5193      1.00000
     42      -3.5092      1.00000
     43      -3.4002      1.00000
     44      -3.3919      1.00000
     45      -3.3229      1.00000
     46      -3.2568      1.00000
     47      -2.8554      1.00000
     48      -2.8158      1.00000
     49      -2.6389      1.00000
     50      -2.6337      1.00000
     51      -1.3198      0.00000
     52      -1.2820      0.00000
     53      -1.0283      0.00000
     54      -0.9903      0.00000
     55       0.7894      0.00000
     56       0.8268      0.00000
     57       1.1347      0.00000
     58       1.1643      0.00000
     59       1.4019      0.00000
     60       1.4424      0.00000
     61       1.6198      0.00000
     62       1.6344      0.00000
     63       1.7907      0.00000
     64       1.8315      0.00000
     65       2.3503      0.00000
     66       2.3665      0.00000
     67       2.4988      0.00000
     68       2.5277      0.00000
     69       2.7768      0.00000
     70       2.7956      0.00000
     71       2.8315      0.00000
     72       2.8735      0.00000

 k-point   240 :      -0.0625   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -36.4031      1.00000
      2     -36.4018      1.00000
      3     -36.2743      1.00000
      4     -36.2741      1.00000
      5     -23.9384      1.00000
      6     -23.9377      1.00000
      7     -23.9328      1.00000
      8     -23.9313      1.00000
      9     -22.9149      1.00000
     10     -22.9118      1.00000
     11     -22.8995      1.00000
     12     -22.8988      1.00000
     13     -22.8903      1.00000
     14     -22.8899      1.00000
     15     -19.3619      1.00000
     16     -19.3120      1.00000
     17     -19.0505      1.00000
     18     -19.0486      1.00000
     19     -18.3422      1.00000
     20     -18.2818      1.00000
     21     -18.0399      1.00000
     22     -18.0275      1.00000
     23     -17.9407      1.00000
     24     -17.8971      1.00000
     25     -17.8706      1.00000
     26     -17.8503      1.00000
     27     -15.3234      1.00000
     28     -15.3151      1.00000
     29     -14.4199      1.00000
     30     -14.4066      1.00000
     31     -12.9616      1.00000
     32     -12.9440      1.00000
     33      -8.3539      1.00000
     34      -8.3515      1.00000
     35      -4.7499      1.00000
     36      -4.6456      1.00000
     37      -4.3169      1.00000
     38      -4.2482      1.00000
     39      -4.1094      1.00000
     40      -3.9189      1.00000
     41      -3.5458      1.00000
     42      -3.5238      1.00000
     43      -3.3443      1.00000
     44      -3.3225      1.00000
     45      -3.0641      1.00000
     46      -3.0287      1.00000
     47      -2.8594      1.00000
     48      -2.8282      1.00000
     49      -2.6391      1.00000
     50      -2.6375      1.00000
     51      -1.5408      0.93182
     52      -1.5007      0.63826
     53      -1.0218      0.00000
     54      -0.9816      0.00000
     55       0.7744      0.00000
     56       0.8359      0.00000
     57       1.0537      0.00000
     58       1.0805      0.00000
     59       1.1774      0.00000
     60       1.2113      0.00000
     61       1.5191      0.00000
     62       1.5724      0.00000
     63       1.9314      0.00000
     64       2.0542      0.00000
     65       2.1384      0.00000
     66       2.1589      0.00000
     67       2.3967      0.00000
     68       2.4472      0.00000
     69       2.5531      0.00000
     70       2.5773      0.00000
     71       2.6757      0.00000
     72       2.6938      0.00000

 k-point   241 :       0.0000   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.4119      1.00000
      2     -36.4107      1.00000
      3     -36.2784      1.00000
      4     -36.2781      1.00000
      5     -23.9389      1.00000
      6     -23.9389      1.00000
      7     -23.9321      1.00000
      8     -23.9313      1.00000
      9     -22.9142      1.00000
     10     -22.9132      1.00000
     11     -22.8968      1.00000
     12     -22.8967      1.00000
     13     -22.8926      1.00000
     14     -22.8925      1.00000
     15     -19.3493      1.00000
     16     -19.3298      1.00000
     17     -19.0038      1.00000
     18     -19.0003      1.00000
     19     -18.3128      1.00000
     20     -18.2890      1.00000
     21     -17.9529      1.00000
     22     -17.9510      1.00000
     23     -17.9070      1.00000
     24     -17.8943      1.00000
     25     -17.8266      1.00000
     26     -17.8246      1.00000
     27     -15.5004      1.00000
     28     -15.4965      1.00000
     29     -14.5301      1.00000
     30     -14.5237      1.00000
     31     -13.0110      1.00000
     32     -13.0032      1.00000
     33      -8.3029      1.00000
     34      -8.3010      1.00000
     35      -4.4868      1.00000
     36      -4.4352      1.00000
     37      -3.6832      1.00000
     38      -3.5626      1.00000
     39      -3.4737      1.00000
     40      -3.4417      1.00000
     41      -3.2959      1.00000
     42      -3.2891      1.00000
     43      -3.0687      1.00000
     44      -3.0658      1.00000
     45      -2.9218      1.00000
     46      -2.9072      1.00000
     47      -2.7755      1.00000
     48      -2.7676      1.00000
     49      -2.6136      1.00000
     50      -2.6129      1.00000
     51      -1.9122      1.00000
     52      -1.8675      1.00000
     53      -1.3175      0.00000
     54      -1.2807      0.00000
     55       0.3374      0.00000
     56       0.3623      0.00000
     57       0.7228      0.00000
     58       0.7517      0.00000
     59       1.4043      0.00000
     60       1.4245      0.00000
     61       1.5696      0.00000
     62       1.6095      0.00000
     63       1.6980      0.00000
     64       1.7294      0.00000
     65       1.8827      0.00000
     66       1.8977      0.00000
     67       2.2518      0.00000
     68       2.2619      0.00000
     69       2.3820      0.00000
     70       2.3855      0.00000
     71       2.4608      0.00000
     72       2.4642      0.00000

 k-point   242 :       0.0625   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.4119      1.00000
      2     -36.4107      1.00000
      3     -36.2784      1.00000
      4     -36.2781      1.00000
      5     -23.9389      1.00000
      6     -23.9389      1.00000
      7     -23.9320      1.00000
      8     -23.9314      1.00000
      9     -22.9142      1.00000
     10     -22.9132      1.00000
     11     -22.8968      1.00000
     12     -22.8967      1.00000
     13     -22.8926      1.00000
     14     -22.8925      1.00000
     15     -19.3490      1.00000
     16     -19.3302      1.00000
     17     -19.0037      1.00000
     18     -19.0004      1.00000
     19     -18.3130      1.00000
     20     -18.2888      1.00000
     21     -17.9529      1.00000
     22     -17.9509      1.00000
     23     -17.9071      1.00000
     24     -17.8942      1.00000
     25     -17.8266      1.00000
     26     -17.8245      1.00000
     27     -15.5004      1.00000
     28     -15.4965      1.00000
     29     -14.5301      1.00000
     30     -14.5237      1.00000
     31     -13.0102      1.00000
     32     -13.0040      1.00000
     33      -8.3029      1.00000
     34      -8.3010      1.00000
     35      -4.4871      1.00000
     36      -4.4349      1.00000
     37      -3.6826      1.00000
     38      -3.5643      1.00000
     39      -3.4738      1.00000
     40      -3.4406      1.00000
     41      -3.2961      1.00000
     42      -3.2888      1.00000
     43      -3.0688      1.00000
     44      -3.0656      1.00000
     45      -2.9217      1.00000
     46      -2.9073      1.00000
     47      -2.7748      1.00000
     48      -2.7682      1.00000
     49      -2.6137      1.00000
     50      -2.6128      1.00000
     51      -1.9187      1.00000
     52      -1.8608      1.00000
     53      -1.3195      0.00000
     54      -1.2790      0.00000
     55       0.3376      0.00000
     56       0.3616      0.00000
     57       0.7326      0.00000
     58       0.7422      0.00000
     59       1.4027      0.00000
     60       1.4259      0.00000
     61       1.5727      0.00000
     62       1.6073      0.00000
     63       1.6965      0.00000
     64       1.7299      0.00000
     65       1.8810      0.00000
     66       1.8998      0.00000
     67       2.2506      0.00000
     68       2.2631      0.00000
     69       2.3820      0.00000
     70       2.3855      0.00000
     71       2.4602      0.00000
     72       2.4647      0.00000

 k-point   243 :       0.1250   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.4088      1.00000
      2     -36.4076      1.00000
      3     -36.2770      1.00000
      4     -36.2767      1.00000
      5     -23.9387      1.00000
      6     -23.9384      1.00000
      7     -23.9324      1.00000
      8     -23.9313      1.00000
      9     -22.9144      1.00000
     10     -22.9125      1.00000
     11     -22.8979      1.00000
     12     -22.8976      1.00000
     13     -22.8919      1.00000
     14     -22.8916      1.00000
     15     -19.3546      1.00000
     16     -19.3220      1.00000
     17     -19.0204      1.00000
     18     -19.0164      1.00000
     19     -18.3257      1.00000
     20     -18.2844      1.00000
     21     -17.9865      1.00000
     22     -17.9819      1.00000
     23     -17.9142      1.00000
     24     -17.8854      1.00000
     25     -17.8486      1.00000
     26     -17.8372      1.00000
     27     -15.4406      1.00000
     28     -15.4343      1.00000
     29     -14.4919      1.00000
     30     -14.4817      1.00000
     31     -12.9925      1.00000
     32     -12.9819      1.00000
     33      -8.3151      1.00000
     34      -8.3124      1.00000
     35      -4.5219      1.00000
     36      -4.4068      1.00000
     37      -3.9523      1.00000
     38      -3.7657      1.00000
     39      -3.7559      1.00000
     40      -3.7259      1.00000
     41      -3.5172      1.00000
     42      -3.4601      1.00000
     43      -3.1102      1.00000
     44      -3.0751      1.00000
     45      -3.0058      1.00000
     46      -2.9852      1.00000
     47      -2.8441      1.00000
     48      -2.8337      1.00000
     49      -2.6413      1.00000
     50      -2.6371      1.00000
     51      -1.7624      1.00000
     52      -1.7017      1.00000
     53      -1.1301      0.00000
     54      -1.0827      0.00000
     55       0.6513      0.00000
     56       0.6922      0.00000
     57       0.8099      0.00000
     58       0.8343      0.00000
     59       1.3323      0.00000
     60       1.3816      0.00000
     61       1.4267      0.00000
     62       1.4513      0.00000
     63       1.7846      0.00000
     64       1.8901      0.00000
     65       1.9318      0.00000
     66       1.9841      0.00000
     67       2.3196      0.00000
     68       2.3293      0.00000
     69       2.3894      0.00000
     70       2.4001      0.00000
     71       2.5821      0.00000
     72       2.6124      0.00000

 k-point   244 :       0.1875   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.4031      1.00000
      2     -36.4018      1.00000
      3     -36.2743      1.00000
      4     -36.2741      1.00000
      5     -23.9384      1.00000
      6     -23.9377      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9149      1.00000
     10     -22.9118      1.00000
     11     -22.8995      1.00000
     12     -22.8988      1.00000
     13     -22.8903      1.00000
     14     -22.8899      1.00000
     15     -19.3613      1.00000
     16     -19.3125      1.00000
     17     -19.0504      1.00000
     18     -19.0488      1.00000
     19     -18.3427      1.00000
     20     -18.2815      1.00000
     21     -18.0397      1.00000
     22     -18.0275      1.00000
     23     -17.9407      1.00000
     24     -17.8970      1.00000
     25     -17.8707      1.00000
     26     -17.8503      1.00000
     27     -15.3234      1.00000
     28     -15.3151      1.00000
     29     -14.4199      1.00000
     30     -14.4067      1.00000
     31     -12.9605      1.00000
     32     -12.9452      1.00000
     33      -8.3540      1.00000
     34      -8.3515      1.00000
     35      -4.7500      1.00000
     36      -4.6455      1.00000
     37      -4.3169      1.00000
     38      -4.2482      1.00000
     39      -4.1094      1.00000
     40      -3.9190      1.00000
     41      -3.5479      1.00000
     42      -3.5215      1.00000
     43      -3.3454      1.00000
     44      -3.3217      1.00000
     45      -3.0639      1.00000
     46      -3.0287      1.00000
     47      -2.8602      1.00000
     48      -2.8274      1.00000
     49      -2.6395      1.00000
     50      -2.6370      1.00000
     51      -1.5507      0.96166
     52      -1.4905      0.52642
     53      -1.0220      0.00000
     54      -0.9815      0.00000
     55       0.7761      0.00000
     56       0.8331      0.00000
     57       1.0599      0.00000
     58       1.0758      0.00000
     59       1.1747      0.00000
     60       1.2135      0.00000
     61       1.5178      0.00000
     62       1.5738      0.00000
     63       1.9309      0.00000
     64       2.0544      0.00000
     65       2.1428      0.00000
     66       2.1546      0.00000
     67       2.3973      0.00000
     68       2.4464      0.00000
     69       2.5545      0.00000
     70       2.5760      0.00000
     71       2.6762      0.00000
     72       2.6935      0.00000

 k-point   245 :       0.2500   -0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.3955      1.00000
      2     -36.3942      1.00000
      3     -36.2709      1.00000
      4     -36.2707      1.00000
      5     -23.9385      1.00000
      6     -23.9371      1.00000
      7     -23.9326      1.00000
      8     -23.9314      1.00000
      9     -22.9162      1.00000
     10     -22.9122      1.00000
     11     -22.9007      1.00000
     12     -22.8999      1.00000
     13     -22.8880      1.00000
     14     -22.8874      1.00000
     15     -19.3690      1.00000
     16     -19.3058      1.00000
     17     -19.0955      1.00000
     18     -19.0890      1.00000
     19     -18.3593      1.00000
     20     -18.2806      1.00000
     21     -18.1038      1.00000
     22     -18.0780      1.00000
     23     -17.9789      1.00000
     24     -17.9410      1.00000
     25     -17.8723      1.00000
     26     -17.8606      1.00000
     27     -15.1565      1.00000
     28     -15.1471      1.00000
     29     -14.3263      1.00000
     30     -14.3120      1.00000
     31     -12.9215      1.00000
     32     -12.9034      1.00000
     33      -8.4464      1.00000
     34      -8.4452      1.00000
     35      -5.2430      1.00000
     36      -5.2203      1.00000
     37      -4.6895      1.00000
     38      -4.6071      1.00000
     39      -4.1495      1.00000
     40      -3.9823      1.00000
     41      -3.7668      1.00000
     42      -3.6832      1.00000
     43      -3.4114      1.00000
     44      -3.4066      1.00000
     45      -3.1153      1.00000
     46      -3.0758      1.00000
     47      -2.8629      1.00000
     48      -2.8225      1.00000
     49      -2.6162      1.00000
     50      -2.6117      1.00000
     51      -1.3043      0.00000
     52      -1.2466      0.00000
     53      -1.1403      0.00000
     54      -1.1123      0.00000
     55       0.6553      0.00000
     56       0.6748      0.00000
     57       1.0402      0.00000
     58       1.0551      0.00000
     59       1.3815      0.00000
     60       1.4235      0.00000
     61       1.8355      0.00000
     62       1.9049      0.00000
     63       1.9581      0.00000
     64       1.9934      0.00000
     65       2.3797      0.00000
     66       2.4529      0.00000
     67       2.5008      0.00000
     68       2.5222      0.00000
     69       2.7736      0.00000
     70       2.8102      0.00000
     71       2.8646      0.00000
     72       2.9068      0.00000

 k-point   246 :       0.3125   -0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.3872      1.00000
      2     -36.3859      1.00000
      3     -36.2673      1.00000
      4     -36.2671      1.00000
      5     -23.9389      1.00000
      6     -23.9371      1.00000
      7     -23.9320      1.00000
      8     -23.9311      1.00000
      9     -22.9182      1.00000
     10     -22.9142      1.00000
     11     -22.9009      1.00000
     12     -22.9005      1.00000
     13     -22.8850      1.00000
     14     -22.8843      1.00000
     15     -19.3776      1.00000
     16     -19.3052      1.00000
     17     -19.1488      1.00000
     18     -19.1314      1.00000
     19     -18.3723      1.00000
     20     -18.2827      1.00000
     21     -18.1675      1.00000
     22     -18.1255      1.00000
     23     -18.0159      1.00000
     24     -17.9853      1.00000
     25     -17.8756      1.00000
     26     -17.8702      1.00000
     27     -14.9534      1.00000
     28     -14.9441      1.00000
     29     -14.2289      1.00000
     30     -14.2154      1.00000
     31     -12.8828      1.00000
     32     -12.8642      1.00000
     33      -8.6153      1.00000
     34      -8.6124      1.00000
     35      -5.7457      1.00000
     36      -5.7401      1.00000
     37      -4.9659      1.00000
     38      -4.8901      1.00000
     39      -4.2883      1.00000
     40      -4.1715      1.00000
     41      -3.8896      1.00000
     42      -3.8002      1.00000
     43      -3.3640      1.00000
     44      -3.3402      1.00000
     45      -3.1449      1.00000
     46      -3.1351      1.00000
     47      -2.8469      1.00000
     48      -2.8127      1.00000
     49      -2.5829      1.00000
     50      -2.5783      1.00000
     51      -1.4338      0.06211
     52      -1.4172      0.02245
     53      -0.9977      0.00000
     54      -0.9285      0.00000
     55       0.4240      0.00000
     56       0.4324      0.00000
     57       1.0610      0.00000
     58       1.1002      0.00000
     59       1.5046      0.00000
     60       1.5246      0.00000
     61       1.9419      0.00000
     62       1.9810      0.00000
     63       2.1641      0.00000
     64       2.2270      0.00000
     65       2.3961      0.00000
     66       2.4605      0.00000
     67       2.8108      0.00000
     68       2.8374      0.00000
     69       3.0119      0.00000
     70       3.0383      0.00000
     71       3.0969      0.00000
     72       3.1106      0.00000

 k-point   247 :       0.3750   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.3795      1.00000
      2     -36.3782      1.00000
      3     -36.2640      1.00000
      4     -36.2638      1.00000
      5     -23.9394      1.00000
      6     -23.9376      1.00000
      7     -23.9313      1.00000
      8     -23.9305      1.00000
      9     -22.9203      1.00000
     10     -22.9170      1.00000
     11     -22.9009      1.00000
     12     -22.9006      1.00000
     13     -22.8820      1.00000
     14     -22.8813      1.00000
     15     -19.3854      1.00000
     16     -19.3139      1.00000
     17     -19.1972      1.00000
     18     -19.1715      1.00000
     19     -18.3794      1.00000
     20     -18.2927      1.00000
     21     -18.2171      1.00000
     22     -18.1637      1.00000
     23     -18.0455      1.00000
     24     -18.0208      1.00000
     25     -17.8824      1.00000
     26     -17.8778      1.00000
     27     -14.7350      1.00000
     28     -14.7269      1.00000
     29     -14.1488      1.00000
     30     -14.1378      1.00000
     31     -12.8495      1.00000
     32     -12.8327      1.00000
     33      -8.8431      1.00000
     34      -8.8382      1.00000
     35      -6.1487      1.00000
     36      -6.1424      1.00000
     37      -5.1229      1.00000
     38      -5.0498      1.00000
     39      -4.5059      1.00000
     40      -4.4116      1.00000
     41      -3.8865      1.00000
     42      -3.8234      1.00000
     43      -3.3836      1.00000
     44      -3.3198      1.00000
     45      -3.1986      1.00000
     46      -3.1462      1.00000
     47      -2.7633      1.00000
     48      -2.7420      1.00000
     49      -2.5521      1.00000
     50      -2.5479      1.00000
     51      -1.7284      1.00000
     52      -1.7124      1.00000
     53      -0.6783      0.00000
     54      -0.6033      0.00000
     55       0.2321      0.00000
     56       0.2394      0.00000
     57       1.0425      0.00000
     58       1.0887      0.00000
     59       1.4064      0.00000
     60       1.4320      0.00000
     61       2.0979      0.00000
     62       2.1276      0.00000
     63       2.2875      0.00000
     64       2.3273      0.00000
     65       2.5503      0.00000
     66       2.5848      0.00000
     67       2.8833      0.00000
     68       2.8984      0.00000
     69       3.2437      0.00000
     70       3.2722      0.00000
     71       3.4362      0.00000
     72       3.4494      0.00000

 k-point   248 :       0.4375   -0.0625   -0.0000
  band No.  band energies     occupation 
      1     -36.3735      1.00000
      2     -36.3722      1.00000
      3     -36.2616      1.00000
      4     -36.2614      1.00000
      5     -23.9398      1.00000
      6     -23.9384      1.00000
      7     -23.9307      1.00000
      8     -23.9298      1.00000
      9     -22.9219      1.00000
     10     -22.9196      1.00000
     11     -22.9009      1.00000
     12     -22.9003      1.00000
     13     -22.8794      1.00000
     14     -22.8789      1.00000
     15     -19.3891      1.00000
     16     -19.3340      1.00000
     17     -19.2271      1.00000
     18     -19.2040      1.00000
     19     -18.3793      1.00000
     20     -18.3164      1.00000
     21     -18.2414      1.00000
     22     -18.1893      1.00000
     23     -18.0665      1.00000
     24     -18.0427      1.00000
     25     -17.8902      1.00000
     26     -17.8829      1.00000
     27     -14.5325      1.00000
     28     -14.5268      1.00000
     29     -14.1058      1.00000
     30     -14.0984      1.00000
     31     -12.8245      1.00000
     32     -12.8109      1.00000
     33      -9.0643      1.00000
     34      -9.0593      1.00000
     35      -6.4268      1.00000
     36      -6.4219      1.00000
     37      -5.1766      1.00000
     38      -5.0958      1.00000
     39      -4.6771      1.00000
     40      -4.5714      1.00000
     41      -3.8994      1.00000
     42      -3.8581      1.00000
     43      -3.4041      1.00000
     44      -3.3304      1.00000
     45      -3.2595      1.00000
     46      -3.1874      1.00000
     47      -2.6439      1.00000
     48      -2.6309      1.00000
     49      -2.5326      1.00000
     50      -2.5237      1.00000
     51      -1.9626      1.00000
     52      -1.9459      1.00000
     53      -0.3454      0.00000
     54      -0.2698      0.00000
     55       0.1020      0.00000
     56       0.1067      0.00000
     57       1.0194      0.00000
     58       1.0528      0.00000
     59       1.2370      0.00000
     60       1.2622      0.00000
     61       2.0821      0.00000
     62       2.1164      0.00000
     63       2.3025      0.00000
     64       2.3928      0.00000
     65       2.6955      0.00000
     66       2.7186      0.00000
     67       3.0064      0.00000
     68       3.0385      0.00000
     69       3.4522      0.00000
     70       3.4797      0.00000
     71       3.6971      0.00000
     72       3.7066      0.00000

 k-point   249 :       0.5000   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9399      1.00000
      6     -23.9389      1.00000
      7     -23.9303      1.00000
      8     -23.9294      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9008      1.00000
     12     -22.9001      1.00000
     13     -22.8780      1.00000
     14     -22.8775      1.00000
     15     -19.3861      1.00000
     16     -19.3558      1.00000
     17     -19.2361      1.00000
     18     -19.2247      1.00000
     19     -18.3730      1.00000
     20     -18.3403      1.00000
     21     -18.2491      1.00000
     22     -18.2016      1.00000
     23     -18.0778      1.00000
     24     -18.0520      1.00000
     25     -17.8950      1.00000
     26     -17.8858      1.00000
     27     -14.3942      1.00000
     28     -14.3919      1.00000
     29     -14.1027      1.00000
     30     -14.0987      1.00000
     31     -12.8110      1.00000
     32     -12.7999      1.00000
     33      -9.2001      1.00000
     34      -9.1962      1.00000
     35      -6.5702      1.00000
     36      -6.5672      1.00000
     37      -5.1825      1.00000
     38      -5.0870      1.00000
     39      -4.7682      1.00000
     40      -4.6420      1.00000
     41      -3.9260      1.00000
     42      -3.8993      1.00000
     43      -3.4080      1.00000
     44      -3.3589      1.00000
     45      -3.2754      1.00000
     46      -3.2184      1.00000
     47      -2.5721      1.00000
     48      -2.5542      1.00000
     49      -2.5246      1.00000
     50      -2.5048      1.00000
     51      -2.0922      1.00000
     52      -2.0760      1.00000
     53      -0.0783      0.00000
     54      -0.0257      0.00000
     55       0.0436      0.00000
     56       0.0506      0.00000
     57       0.9937      0.00000
     58       1.0174      0.00000
     59       1.0732      0.00000
     60       1.0890      0.00000
     61       2.0574      0.00000
     62       2.0915      0.00000
     63       2.2720      0.00000
     64       2.3736      0.00000
     65       2.6853      0.00000
     66       2.7017      0.00000
     67       3.2562      0.00000
     68       3.2808      0.00000
     69       3.6057      0.00000
     70       3.6432      0.00000
     71       3.8312      0.00000
     72       3.8474      0.00000

 k-point   250 :      -0.4375   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.3702      1.00000
      2     -36.3689      1.00000
      3     -36.2603      1.00000
      4     -36.2601      1.00000
      5     -23.9399      1.00000
      6     -23.9389      1.00000
      7     -23.9303      1.00000
      8     -23.9294      1.00000
      9     -22.9226      1.00000
     10     -22.9213      1.00000
     11     -22.9008      1.00000
     12     -22.9001      1.00000
     13     -22.8780      1.00000
     14     -22.8775      1.00000
     15     -19.3865      1.00000
     16     -19.3554      1.00000
     17     -19.2360      1.00000
     18     -19.2248      1.00000
     19     -18.3725      1.00000
     20     -18.3409      1.00000
     21     -18.2491      1.00000
     22     -18.2016      1.00000
     23     -18.0779      1.00000
     24     -18.0521      1.00000
     25     -17.8950      1.00000
     26     -17.8858      1.00000
     27     -14.3942      1.00000
     28     -14.3919      1.00000
     29     -14.1027      1.00000
     30     -14.0987      1.00000
     31     -12.8114      1.00000
     32     -12.7994      1.00000
     33      -9.2001      1.00000
     34      -9.1962      1.00000
     35      -6.5702      1.00000
     36      -6.5673      1.00000
     37      -5.1825      1.00000
     38      -5.0870      1.00000
     39      -4.7682      1.00000
     40      -4.6420      1.00000
     41      -3.9261      1.00000
     42      -3.8992      1.00000
     43      -3.4080      1.00000
     44      -3.3589      1.00000
     45      -3.2754      1.00000
     46      -3.2184      1.00000
     47      -2.5720      1.00000
     48      -2.5544      1.00000
     49      -2.5244      1.00000
     50      -2.5050      1.00000
     51      -2.0922      1.00000
     52      -2.0760      1.00000
     53      -0.0632      0.00000
     54      -0.0405      0.00000
     55       0.0432      0.00000
     56       0.0507      0.00000
     57       0.9898      0.00000
     58       1.0158      0.00000
     59       1.0708      0.00000
     60       1.0969      0.00000
     61       2.0574      0.00000
     62       2.0914      0.00000
     63       2.2722      0.00000
     64       2.3734      0.00000
     65       2.6856      0.00000
     66       2.7013      0.00000
     67       3.2569      0.00000
     68       3.2803      0.00000
     69       3.6062      0.00000
     70       3.6428      0.00000
     71       3.8348      0.00000
     72       3.8435      0.00000

 k-point   251 :      -0.3750   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.3735      1.00000
      2     -36.3722      1.00000
      3     -36.2616      1.00000
      4     -36.2614      1.00000
      5     -23.9398      1.00000
      6     -23.9384      1.00000
      7     -23.9307      1.00000
      8     -23.9298      1.00000
      9     -22.9218      1.00000
     10     -22.9197      1.00000
     11     -22.9009      1.00000
     12     -22.9003      1.00000
     13     -22.8795      1.00000
     14     -22.8788      1.00000
     15     -19.3897      1.00000
     16     -19.3333      1.00000
     17     -19.2270      1.00000
     18     -19.2041      1.00000
     19     -18.3785      1.00000
     20     -18.3172      1.00000
     21     -18.2414      1.00000
     22     -18.1893      1.00000
     23     -18.0665      1.00000
     24     -18.0428      1.00000
     25     -17.8902      1.00000
     26     -17.8829      1.00000
     27     -14.5324      1.00000
     28     -14.5268      1.00000
     29     -14.1058      1.00000
     30     -14.0984      1.00000
     31     -12.8256      1.00000
     32     -12.8099      1.00000
     33      -9.0643      1.00000
     34      -9.0593      1.00000
     35      -6.4268      1.00000
     36      -6.4219      1.00000
     37      -5.1766      1.00000
     38      -5.0958      1.00000
     39      -4.6771      1.00000
     40      -4.5714      1.00000
     41      -3.8996      1.00000
     42      -3.8579      1.00000
     43      -3.4043      1.00000
     44      -3.3303      1.00000
     45      -3.2594      1.00000
     46      -3.1873      1.00000
     47      -2.6426      1.00000
     48      -2.6321      1.00000
     49      -2.5320      1.00000
     50      -2.5242      1.00000
     51      -1.9626      1.00000
     52      -1.9459      1.00000
     53      -0.3231      0.00000
     54      -0.2924      0.00000
     55       0.1029      0.00000
     56       0.1058      0.00000
     57       1.0211      0.00000
     58       1.0503      0.00000
     59       1.2223      0.00000
     60       1.2778      0.00000
     61       2.0822      0.00000
     62       2.1160      0.00000
     63       2.3034      0.00000
     64       2.3920      0.00000
     65       2.6967      0.00000
     66       2.7174      0.00000
     67       3.0130      0.00000
     68       3.0321      0.00000
     69       3.4510      0.00000
     70       3.4810      0.00000
     71       3.6984      0.00000
     72       3.7053      0.00000

 k-point   252 :      -0.3125   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.3795      1.00000
      2     -36.3782      1.00000
      3     -36.2640      1.00000
      4     -36.2638      1.00000
      5     -23.9394      1.00000
      6     -23.9376      1.00000
      7     -23.9313      1.00000
      8     -23.9305      1.00000
      9     -22.9202      1.00000
     10     -22.9171      1.00000
     11     -22.9008      1.00000
     12     -22.9006      1.00000
     13     -22.8820      1.00000
     14     -22.8813      1.00000
     15     -19.3861      1.00000
     16     -19.3133      1.00000
     17     -19.1970      1.00000
     18     -19.1716      1.00000
     19     -18.3786      1.00000
     20     -18.2935      1.00000
     21     -18.2171      1.00000
     22     -18.1637      1.00000
     23     -18.0455      1.00000
     24     -18.0209      1.00000
     25     -17.8825      1.00000
     26     -17.8777      1.00000
     27     -14.7349      1.00000
     28     -14.7269      1.00000
     29     -14.1488      1.00000
     30     -14.1378      1.00000
     31     -12.8507      1.00000
     32     -12.8314      1.00000
     33      -8.8431      1.00000
     34      -8.8381      1.00000
     35      -6.1487      1.00000
     36      -6.1424      1.00000
     37      -5.1228      1.00000
     38      -5.0498      1.00000
     39      -4.5059      1.00000
     40      -4.4116      1.00000
     41      -3.8867      1.00000
     42      -3.8232      1.00000
     43      -3.3839      1.00000
     44      -3.3196      1.00000
     45      -3.1986      1.00000
     46      -3.1461      1.00000
     47      -2.7616      1.00000
     48      -2.7436      1.00000
     49      -2.5511      1.00000
     50      -2.5490      1.00000
     51      -1.7284      1.00000
     52      -1.7124      1.00000
     53      -0.6568      0.00000
     54      -0.6252      0.00000
     55       0.2332      0.00000
     56       0.2383      0.00000
     57       1.0429      0.00000
     58       1.0883      0.00000
     59       1.3959      0.00000
     60       1.4425      0.00000
     61       2.0980      0.00000
     62       2.1273      0.00000
     63       2.2918      0.00000
     64       2.3228      0.00000
     65       2.5553      0.00000
     66       2.5806      0.00000
     67       2.8862      0.00000
     68       2.8951      0.00000
     69       3.2418      0.00000
     70       3.2743      0.00000
     71       3.4382      0.00000
     72       3.4476      0.00000

 k-point   253 :      -0.2500   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.3872      1.00000
      2     -36.3859      1.00000
      3     -36.2673      1.00000
      4     -36.2671      1.00000
      5     -23.9389      1.00000
      6     -23.9371      1.00000
      7     -23.9320      1.00000
      8     -23.9311      1.00000
      9     -22.9181      1.00000
     10     -22.9142      1.00000
     11     -22.9009      1.00000
     12     -22.9005      1.00000
     13     -22.8850      1.00000
     14     -22.8843      1.00000
     15     -19.3783      1.00000
     16     -19.3045      1.00000
     17     -19.1486      1.00000
     18     -19.1316      1.00000
     19     -18.3716      1.00000
     20     -18.2832      1.00000
     21     -18.1677      1.00000
     22     -18.1255      1.00000
     23     -18.0159      1.00000
     24     -17.9854      1.00000
     25     -17.8757      1.00000
     26     -17.8701      1.00000
     27     -14.9534      1.00000
     28     -14.9441      1.00000
     29     -14.2289      1.00000
     30     -14.2154      1.00000
     31     -12.8842      1.00000
     32     -12.8629      1.00000
     33      -8.6154      1.00000
     34      -8.6123      1.00000
     35      -5.7457      1.00000
     36      -5.7401      1.00000
     37      -4.9659      1.00000
     38      -4.8901      1.00000
     39      -4.2883      1.00000
     40      -4.1715      1.00000
     41      -3.8898      1.00000
     42      -3.8000      1.00000
     43      -3.3647      1.00000
     44      -3.3396      1.00000
     45      -3.1448      1.00000
     46      -3.1350      1.00000
     47      -2.8457      1.00000
     48      -2.8139      1.00000
     49      -2.5822      1.00000
     50      -2.5790      1.00000
     51      -1.4337      0.06187
     52      -1.4173      0.02256
     53      -0.9791      0.00000
     54      -0.9474      0.00000
     55       0.4247      0.00000
     56       0.4317      0.00000
     57       1.0612      0.00000
     58       1.0999      0.00000
     59       1.5037      0.00000
     60       1.5258      0.00000
     61       1.9421      0.00000
     62       1.9803      0.00000
     63       2.1654      0.00000
     64       2.2263      0.00000
     65       2.3961      0.00000
     66       2.4604      0.00000
     67       2.8089      0.00000
     68       2.8393      0.00000
     69       3.0110      0.00000
     70       3.0399      0.00000
     71       3.0957      0.00000
     72       3.1112      0.00000

 k-point   254 :      -0.1875   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.3955      1.00000
      2     -36.3942      1.00000
      3     -36.2709      1.00000
      4     -36.2707      1.00000
      5     -23.9385      1.00000
      6     -23.9371      1.00000
      7     -23.9327      1.00000
      8     -23.9314      1.00000
      9     -22.9162      1.00000
     10     -22.9122      1.00000
     11     -22.9007      1.00000
     12     -22.8999      1.00000
     13     -22.8880      1.00000
     14     -22.8874      1.00000
     15     -19.3697      1.00000
     16     -19.3052      1.00000
     17     -19.0953      1.00000
     18     -19.0891      1.00000
     19     -18.3586      1.00000
     20     -18.2811      1.00000
     21     -18.1040      1.00000
     22     -18.0780      1.00000
     23     -17.9789      1.00000
     24     -17.9411      1.00000
     25     -17.8724      1.00000
     26     -17.8605      1.00000
     27     -15.1565      1.00000
     28     -15.1471      1.00000
     29     -14.3263      1.00000
     30     -14.3120      1.00000
     31     -12.9229      1.00000
     32     -12.9020      1.00000
     33      -8.4463      1.00000
     34      -8.4452      1.00000
     35      -5.2430      1.00000
     36      -5.2203      1.00000
     37      -4.6895      1.00000
     38      -4.6072      1.00000
     39      -4.1496      1.00000
     40      -3.9823      1.00000
     41      -3.7668      1.00000
     42      -3.6830      1.00000
     43      -3.4130      1.00000
     44      -3.4049      1.00000
     45      -3.1152      1.00000
     46      -3.0758      1.00000
     47      -2.8622      1.00000
     48      -2.8233      1.00000
     49      -2.6156      1.00000
     50      -2.6122      1.00000
     51      -1.2913      0.00000
     52      -1.2589      0.00000
     53      -1.1393      0.00000
     54      -1.1142      0.00000
     55       0.6550      0.00000
     56       0.6751      0.00000
     57       1.0419      0.00000
     58       1.0530      0.00000
     59       1.3953      0.00000
     60       1.4096      0.00000
     61       1.8378      0.00000
     62       1.9031      0.00000
     63       1.9602      0.00000
     64       1.9913      0.00000
     65       2.3794      0.00000
     66       2.4535      0.00000
     67       2.4964      0.00000
     68       2.5268      0.00000
     69       2.7729      0.00000
     70       2.8110      0.00000
     71       2.8635      0.00000
     72       2.9076      0.00000

 k-point   255 :      -0.1250   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.4031      1.00000
      2     -36.4018      1.00000
      3     -36.2743      1.00000
      4     -36.2741      1.00000
      5     -23.9384      1.00000
      6     -23.9377      1.00000
      7     -23.9328      1.00000
      8     -23.9313      1.00000
      9     -22.9149      1.00000
     10     -22.9118      1.00000
     11     -22.8995      1.00000
     12     -22.8988      1.00000
     13     -22.8903      1.00000
     14     -22.8899      1.00000
     15     -19.3620      1.00000
     16     -19.3118      1.00000
     17     -19.0506      1.00000
     18     -19.0486      1.00000
     19     -18.3421      1.00000
     20     -18.2819      1.00000
     21     -18.0400      1.00000
     22     -18.0275      1.00000
     23     -17.9406      1.00000
     24     -17.8972      1.00000
     25     -17.8707      1.00000
     26     -17.8503      1.00000
     27     -15.3233      1.00000
     28     -15.3151      1.00000
     29     -14.4199      1.00000
     30     -14.4067      1.00000
     31     -12.9619      1.00000
     32     -12.9438      1.00000
     33      -8.3539      1.00000
     34      -8.3516      1.00000
     35      -4.7499      1.00000
     36      -4.6456      1.00000
     37      -4.3169      1.00000
     38      -4.2482      1.00000
     39      -4.1095      1.00000
     40      -3.9189      1.00000
     41      -3.5476      1.00000
     42      -3.5214      1.00000
     43      -3.3463      1.00000
     44      -3.3213      1.00000
     45      -3.0638      1.00000
     46      -3.0287      1.00000
     47      -2.8596      1.00000
     48      -2.8281      1.00000
     49      -2.6387      1.00000
     50      -2.6378      1.00000
     51      -1.5377      0.91930
     52      -1.5039      0.67186
     53      -1.0218      0.00000
     54      -0.9816      0.00000
     55       0.7735      0.00000
     56       0.8369      0.00000
     57       1.0550      0.00000
     58       1.0802      0.00000
     59       1.1771      0.00000
     60       1.2098      0.00000
     61       1.5225      0.00000
     62       1.5698      0.00000
     63       1.9308      0.00000
     64       2.0544      0.00000
     65       2.1439      0.00000
     66       2.1537      0.00000
     67       2.3969      0.00000
     68       2.4469      0.00000
     69       2.5539      0.00000
     70       2.5765      0.00000
     71       2.6740      0.00000
     72       2.6956      0.00000

 k-point   256 :      -0.0625   -0.0625    0.0000
  band No.  band energies     occupation 
      1     -36.4088      1.00000
      2     -36.4076      1.00000
      3     -36.2770      1.00000
      4     -36.2767      1.00000
      5     -23.9387      1.00000
      6     -23.9384      1.00000
      7     -23.9325      1.00000
      8     -23.9313      1.00000
      9     -22.9144      1.00000
     10     -22.9125      1.00000
     11     -22.8979      1.00000
     12     -22.8976      1.00000
     13     -22.8919      1.00000
     14     -22.8916      1.00000
     15     -19.3552      1.00000
     16     -19.3213      1.00000
     17     -19.0206      1.00000
     18     -19.0162      1.00000
     19     -18.3252      1.00000
     20     -18.2848      1.00000
     21     -17.9866      1.00000
     22     -17.9820      1.00000
     23     -17.9140      1.00000
     24     -17.8856      1.00000
     25     -17.8486      1.00000
     26     -17.8373      1.00000
     27     -15.4405      1.00000
     28     -15.4344      1.00000
     29     -14.4919      1.00000
     30     -14.4817      1.00000
     31     -12.9938      1.00000
     32     -12.9806      1.00000
     33      -8.3151      1.00000
     34      -8.3124      1.00000
     35      -4.5215      1.00000
     36      -4.4073      1.00000
     37      -3.9523      1.00000
     38      -3.7660      1.00000
     39      -3.7555      1.00000
     40      -3.7260      1.00000
     41      -3.5148      1.00000
     42      -3.4625      1.00000
     43      -3.1104      1.00000
     44      -3.0747      1.00000
     45      -3.0060      1.00000
     46      -2.9853      1.00000
     47      -2.8433      1.00000
     48      -2.8344      1.00000
     49      -2.6413      1.00000
     50      -2.6372      1.00000
     51      -1.7501      1.00000
     52      -1.7144      1.00000
     53      -1.1288      0.00000
     54      -1.0837      0.00000
     55       0.6511      0.00000
     56       0.6958      0.00000
     57       0.7981      0.00000
     58       0.8427      0.00000
     59       1.3350      0.00000
     60       1.3810      0.00000
     61       1.4276      0.00000
     62       1.4478      0.00000
     63       1.7863      0.00000
     64       1.8897      0.00000
     65       1.9311      0.00000
     66       1.9843      0.00000
     67       2.3201      0.00000
     68       2.3287      0.00000
     69       2.3896      0.00000
     70       2.4000      0.00000
     71       2.5822      0.00000
     72       2.6122      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           3
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           4
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
-23.412   0.000  -0.000   0.000   0.000   0.000   0.006   0.000  -0.000   0.415   6.682   0.000   0.000   0.000  -0.000   0.000
 -0.000   0.000 -23.409   0.000  -0.000   0.000  -0.000   0.207   0.006   0.000   0.000   0.000   6.681   0.000   0.000   0.000
  0.000   0.000  -0.000   0.000 -23.420   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000   6.685   0.000
  0.006   0.000  -0.000  -0.207  -0.000   0.000 -23.409   0.000  -0.000   0.000  -0.003   0.000   0.000   0.126   0.000   0.000
 -0.000  -0.415   0.006   0.000   0.000   0.000  -0.000   0.000 -23.412   0.000   0.000   0.252  -0.003   0.000  -0.000   0.000
  6.682   0.000   0.000   0.000  -0.000   0.000  -0.003   0.000   0.000  -0.252   2.798   0.000  -0.000   0.000   0.000   0.000
  0.000   0.000   6.681   0.000   0.000   0.000   0.000  -0.126  -0.003   0.000  -0.000   0.000   2.797   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   6.685   0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   2.797   0.000
 -0.003   0.000   0.000   0.126   0.000   0.000   6.681   0.000   0.000   0.000   0.000   0.000  -0.000  -0.077  -0.000   0.000
  0.000   0.252  -0.003   0.000  -0.000   0.000   0.000   0.000   6.682   0.000  -0.000  -0.154   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.001   0.000
 -0.000   0.000  -0.000   0.000   0.001   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000   0.001   0.000   0.000   0.000  -0.000   0.000   0.001   0.000  -0.000   0.000   0.001   0.000  -0.000   0.000
 -0.000   0.000  -0.000   0.000   0.001   0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.002   0.000
  0.001   0.000  -0.000   0.000  -0.000   0.000   0.001   0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000   0.000   0.002   0.000   0.000   0.000  -0.000   0.000   0.001   0.000  -0.000   0.000   0.002   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000   0.000   0.003   0.000
  0.001   0.000  -0.000   0.000  -0.000   0.000   0.002   0.000   0.000   0.000  -0.001   0.000  -0.000   0.000  -0.000   0.000
 pseudopotential strength for first ion, spin component:           2
 -0.000   0.000   0.207  -0.000  -0.000   0.000   0.000  -0.207  -0.000   0.000   0.000  -0.000  -0.126   0.000   0.000  -0.000
 -0.207  -0.000  -0.000  -0.000   0.000  -0.359  -0.000  -0.000  -0.000  -0.207   0.126   0.000  -0.000   0.000  -0.000   0.219
 -0.000   0.000   0.000   0.359   0.000  -0.000  -0.359  -0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.219  -0.000   0.000
  0.000   0.207  -0.000  -0.000   0.359  -0.000  -0.000  -0.000  -0.207  -0.000  -0.000  -0.126   0.000   0.000  -0.219   0.000
 -0.000   0.000  -0.000   0.207   0.000  -0.000   0.207  -0.000  -0.000   0.000   0.000  -0.000   0.000  -0.126  -0.000   0.000
  0.000  -0.000  -0.126   0.000   0.000  -0.000  -0.000   0.126   0.000  -0.000  -0.000  -0.000   0.077  -0.000   0.000   0.000
  0.126   0.000  -0.000   0.000  -0.000   0.219   0.000   0.000   0.000   0.126  -0.077  -0.000   0.000  -0.000   0.000  -0.133
  0.000  -0.000  -0.000  -0.219  -0.000   0.000   0.219   0.000  -0.000   0.000   0.000   0.000   0.000   0.133   0.000  -0.000
 -0.000  -0.126   0.000   0.000  -0.219   0.000   0.000   0.000   0.126   0.000   0.000   0.077   0.000  -0.000   0.133   0.000
  0.000  -0.000   0.000  -0.126  -0.000   0.000  -0.126   0.000   0.000  -0.000   0.000  -0.000  -0.000   0.077   0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000
  0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000  -0.000   0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000
  0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000  -0.000   0.000   0.000  -0.000   0.000
 pseudopotential strength for first ion, spin component:           3
 -0.000  -0.000  -0.207   0.000  -0.000  -0.000   0.000  -0.207  -0.000  -0.000   0.000   0.000   0.126  -0.000   0.000   0.000
  0.207   0.000  -0.000   0.000   0.000  -0.359  -0.000   0.000  -0.000  -0.207  -0.126  -0.000  -0.000  -0.000  -0.000   0.219
 -0.000  -0.000   0.000   0.359   0.000   0.000   0.359   0.000   0.000   0.000   0.000   0.000  -0.000  -0.219  -0.000  -0.000
  0.000   0.207  -0.000   0.000  -0.359   0.000  -0.000   0.000   0.207   0.000  -0.000  -0.126   0.000  -0.000   0.219  -0.000
 -0.000  -0.000  -0.000   0.207   0.000   0.000  -0.207   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.126  -0.000  -0.000
  0.000   0.000   0.126  -0.000   0.000   0.000  -0.000   0.126   0.000   0.000  -0.000   0.000  -0.077   0.000   0.000  -0.000
 -0.126  -0.000  -0.000  -0.000  -0.000   0.219   0.000  -0.000   0.000   0.126   0.077   0.000   0.000   0.000   0.000  -0.133
  0.000   0.000  -0.000  -0.219  -0.000  -0.000  -0.219  -0.000  -0.000  -0.000   0.000  -0.000   0.000   0.133   0.000   0.000
 -0.000  -0.126   0.000  -0.000   0.219  -0.000   0.000  -0.000  -0.126  -0.000   0.000   0.077   0.000   0.000  -0.133  -0.000
  0.000   0.000   0.000  -0.126  -0.000  -0.000   0.126  -0.000   0.000   0.000   0.000   0.000  -0.000   0.077   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000
 -0.000  -0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 -0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 pseudopotential strength for first ion, spin component:           4
-23.412   0.000  -0.000   0.000   0.000   0.000   0.006   0.000   0.000  -0.415   6.682   0.000   0.000   0.000  -0.000   0.000
 -0.000   0.000 -23.409   0.000  -0.000   0.000  -0.000  -0.207   0.006   0.000   0.000   0.000   6.681   0.000   0.000   0.000
  0.000   0.000  -0.000   0.000 -23.420   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   6.685   0.000
  0.006   0.000  -0.000   0.207  -0.000   0.000 -23.409   0.000  -0.000   0.000  -0.003   0.000   0.000  -0.126   0.000   0.000
  0.000   0.415   0.006   0.000  -0.000   0.000  -0.000   0.000 -23.412   0.000  -0.000  -0.252  -0.003   0.000   0.000   0.000
  6.682   0.000   0.000   0.000  -0.000   0.000  -0.003   0.000  -0.000   0.252   2.798   0.000  -0.000   0.000   0.000   0.000
  0.000   0.000   6.681   0.000   0.000   0.000   0.000   0.126  -0.003   0.000  -0.000   0.000   2.797   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   6.685   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000   2.797   0.000
 -0.003   0.000   0.000  -0.126   0.000   0.000   6.681   0.000   0.000   0.000   0.000   0.000  -0.000   0.077  -0.000   0.000
 -0.000  -0.252  -0.003   0.000   0.000   0.000   0.000   0.000   6.682   0.000  -0.000   0.154   0.000   0.000  -0.000   0.000
  0.000   0.000   0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.001   0.000
 -0.000   0.000  -0.000   0.000   0.001   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.001   0.000
  0.000   0.000   0.001   0.000  -0.000   0.000  -0.000   0.000   0.001   0.000   0.000   0.000   0.001   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.002   0.000
  0.001   0.000  -0.000   0.000  -0.000   0.000   0.001   0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.002   0.000  -0.000   0.000  -0.000   0.000   0.001   0.000   0.000   0.000   0.002   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.001   0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.003   0.000
  0.001   0.000  -0.000   0.000  -0.000   0.000   0.002   0.000   0.000   0.000  -0.001   0.000   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  2.000   0.000  -0.000   0.000   0.000   0.004   0.000  -0.000   0.003   0.000   0.000   0.000   0.000   0.000   0.020  -0.000
  0.000   2.000   0.000   0.000   0.000   0.000   0.005   0.000   0.000   0.003   0.000   0.000   0.014   0.000  -0.000  -0.007
 -0.000   0.000   2.000   0.000  -0.000  -0.000   0.000   0.002   0.000  -0.000  -0.001  -0.000  -0.000  -0.019  -0.000   0.000
  0.000   0.000   0.000   2.000   0.000   0.003   0.000   0.000   0.005   0.000   0.000   0.000  -0.000   0.000   0.014   0.000
  0.000   0.000  -0.000   0.000   2.000   0.000   0.003  -0.000   0.000   0.004   0.000   0.000   0.020   0.000   0.000  -0.012
  0.004   0.000  -0.000   0.003   0.000   0.038  -0.000  -0.000   0.030  -0.000   0.000   0.000   0.000  -0.000   0.057   0.000
  0.000   0.005   0.000   0.000   0.003  -0.000   0.059   0.000   0.000   0.030   0.000  -0.000   0.070  -0.000  -0.000  -0.016
 -0.000   0.000   0.002   0.000  -0.000  -0.000   0.000   0.016  -0.000   0.000  -0.007   0.001  -0.000  -0.021  -0.000   0.000
  0.003   0.000   0.000   0.005   0.000   0.030   0.000  -0.000   0.059  -0.000   0.000  -0.000  -0.000  -0.000   0.070   0.000
  0.000   0.003  -0.000   0.000   0.004  -0.000   0.030   0.000  -0.000   0.038  -0.000   0.000   0.057   0.000   0.000  -0.013
  0.000   0.000  -0.001   0.000   0.000   0.000   0.000  -0.007   0.000  -0.000   1.836   0.018  -0.000   0.050   0.000   0.000
  0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.001  -0.000   0.000   0.018   0.009   0.000   0.017   0.000  -0.000
  0.000   0.014  -0.000  -0.000   0.020   0.000   0.070  -0.000  -0.000   0.057  -0.000   0.000   2.093  -0.000  -0.000  -0.562
  0.000   0.000  -0.019   0.000   0.000  -0.000  -0.000  -0.021  -0.000   0.000   0.050   0.017  -0.000   2.043  -0.000   0.000
  0.020  -0.000  -0.000   0.014   0.000   0.057  -0.000  -0.000   0.070   0.000   0.000   0.000  -0.000  -0.000   2.093   0.000
 -0.000  -0.007   0.000   0.000  -0.012   0.000  -0.016   0.000   0.000  -0.013   0.000  -0.000  -0.562   0.000   0.000   0.173
 -0.000  -0.000   0.012  -0.000  -0.000   0.000   0.000   0.005   0.000   0.000  -0.036  -0.003   0.000  -0.551   0.000  -0.000
 -0.012   0.000   0.000  -0.007  -0.000  -0.013   0.000   0.000  -0.016  -0.000   0.000  -0.000   0.000   0.000  -0.562  -0.000
 total augmentation occupancy for first ion, spin component:           2
 -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000
 -0.000  -0.000   0.000   0.000  -0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000
  0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           3
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000
  0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000
  0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000
 -0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
  0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.000
 total augmentation occupancy for first ion, spin component:           4
  0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000
  0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------



 DIPCOR: dipole corrections for dipol
 direction  3 min pos   583,
 dipolmoment          -0.000000      0.000000      0.245580 electrons x Angstroem
 Tr[quadrupol]       -92.693554

 energy correction for charged system         0.000000 eV
 dipol+quadrupol energy correction            0.010248 eV
 added-field ion interaction          0.000000 eV  (added to PSCEN)

 
  *************** adding dipol energy to TOTEN NOW **************** 
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        1.215   0.861  10.047  12.124
    2        1.482   2.287   0.025   3.793
    3        1.457   2.381   0.020   3.859
    4        1.253   2.301   0.000   3.554
    5        2.022   5.804   0.233   8.060
    6        2.040   5.772   0.293   8.105
--------------------------------------------------
tot          9.470  19.406  10.619  39.494
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000  -0.000  -0.000  -0.000
    3       -0.000  -0.000   0.000  -0.000
    4        0.000   0.000   0.000   0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
--------------------------------------------------
tot          0.000   0.000   0.000   0.000
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000  -0.000   0.000  -0.000
    3       -0.000   0.000   0.000   0.000
    4        0.000   0.001   0.000   0.001
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.001
--------------------------------------------------
tot          0.000   0.001   0.001   0.002
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000  -0.000  -0.000  -0.000
    3       -0.000  -0.000  -0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000  -0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
--------------------------------------------------
tot         -0.000  -0.000   0.000  -0.000
 
    CHARGE:  cpu time   12.3560: real time   12.3696
    FORLOC:  cpu time    0.0435: real time    0.0435
    FORNL :  cpu time   22.3004: real time   22.3241
    STRESS:  cpu time   69.8925: real time   69.9906
    FORCOR:  cpu time    1.6122: real time    1.6159
    FORHAR:  cpu time    0.2074: real time    0.2077
    MIXING:  cpu time    0.5498: real time    0.5505
    OFIELD:  cpu time    0.0001: real time    0.0001

 ---------------------------------------------------------------------------------------------

         DFTD3 V3.0 Rev 1        
 IVDW         = 11
 DF pbe       
 parameters
 VDW_S6       =    1.0000
 VDW_S8       =    0.7220
 VDW_SR       =    1.2170
 rs18     =    1.0000
 alpha6   =   14.0000
 alpha8   =   16.0000
 k1-k3    =   16.0000    1.3333   -4.0000
 VDW_RADIUS   =   50.2022 A
 VDW_CNRADIUS =   21.1671 A
 Edisp (eV)   -0.93687

 E6    (eV) :    -0.3575
 E8    (eV) :    -0.5794
 % E8        : 61.85
    FORVDW:  cpu time    0.0222: real time    0.0252

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    56.77423    56.77423    56.77423
  Ewald   30723.18034 30723.18034-32942.89936    -0.00000     0.00000    -0.00000
  Hartree 31700.49764 31700.49762-31067.70070     0.00000     0.00001     0.00001
  E(xc)    -211.78675  -211.78675  -212.05513    -0.00000    -0.00000    -0.00000
  Local  -63093.36630-63093.36622 63345.30788    -0.00003    -0.00005    -0.00004
  n-local    36.89171    36.89172    37.52809     0.00002     0.00001     0.00002
  augment   178.88586   178.88587   178.91375     0.00002    -0.00000    -0.00000
  Kinetic   609.96384   609.96373   604.95731    -0.00001     0.00002    -0.00001
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  vdW        -1.03143    -1.03143    -0.73520     0.00000     0.00000    -0.00000
  -------------------------------------------------------------------------------------
  Total       0.00913     0.00911     0.09087    -0.00000    -0.00001    -0.00002
  in kB       0.02749     0.02742     0.27344    -0.00001    -0.00002    -0.00006
  external pressure =        0.11 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :      532.44
      direct lattice vectors                 reciprocal lattice vectors
     3.950115621  0.000000000  0.000000000     0.253157147  0.146160347 -0.000000000
    -1.975057810  3.420900474  0.000000000    -0.000000000  0.292320694 -0.000000000
    -0.000000000  0.000000000 39.402187794     0.000000000  0.000000000  0.025379301

  length of vectors
     3.950115621  3.950115619 39.402187794     0.292320694  0.292320694  0.025379301


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.947E-05 -.196E-05 -.173E+04   0.563E-07 -.118E-07 0.173E+04   0.105E-04 0.871E-06 0.137E+01   0.347E-05 0.878E-06 -.507E-01
   0.379E-05 -.357E-05 -.128E+04   -.172E-06 0.338E-07 0.129E+04   -.238E-05 0.296E-05 -.263E+01   -.712E-06 0.223E-05 -.291E-01
   -.121E-04 -.899E-05 -.146E+03   0.164E-06 -.300E-07 0.145E+03   0.559E-05 0.230E-05 0.863E+00   0.496E-05 0.531E-05 -.376E-01
   0.174E-05 -.425E-04 0.663E+03   -.320E-06 0.208E-06 -.663E+03   -.435E-05 0.202E-04 0.805E-01   0.438E-05 0.141E-04 -.288E-01
   -.744E-05 0.539E-04 0.552E+03   0.173E-07 -.757E-08 -.554E+03   -.660E-05 0.242E-04 0.232E+01   0.134E-04 -.769E-04 -.102E+00
   0.160E-04 -.202E-04 0.196E+04   0.255E-06 -.192E-06 -.195E+04   0.926E-05 -.522E-05 -.656E+01   -.266E-04 0.317E-04 0.212E-02
 -----------------------------------------------------------------------------------------------
   -.746E-05 -.233E-04 0.481E+01   -.161E-13 0.865E-14 0.455E-12   0.121E-04 0.454E-04 -.457E+01   -.113E-05 -.226E-04 -.246E+00
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -0.00000      0.00000     23.40573         0.000004     -0.000000     -0.000563
      1.97506      1.14030     24.92478        -0.000000      0.000002      0.038334
     -0.00000      2.28060     21.59988        -0.000002     -0.000001     -0.026313
      1.97506      1.14030     17.88755         0.000001     -0.000008      0.012990
     -0.00000      0.00000     19.44204        -0.000001      0.000001     -0.023949
     -0.00000      2.28060     16.73830        -0.000002      0.000006     -0.000500
 -----------------------------------------------------------------------------------
    total drift:                                0.000003     -0.000001      0.000451


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -27.32446655 eV

  energy  without entropy=      -27.32167032  energy(sigma->0) =      -27.32306844
 


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    2.5149: real time    2.5185


--------------------------------------------------------------------------------------------------------


 writing wavefunctions
     LOOP+:  cpu time 5364.5621: real time 5369.4202
 vacuum level on the upper side and lower side of the slab         2.396         2.352
    4ORBIT:  cpu time    0.0000: real time    0.0000
 


 orbital moment (x)
 
 # of ion     p       d       tot
 ----------------------------------------
  1        -0.000  -0.000  -0.000
  2        -0.000   0.000  -0.000
  3         0.000   0.000   0.000
  4         0.000   0.000   0.000
  5        -0.000  -0.000  -0.000
  6        -0.000   0.000  -0.000
 ----------------------------------------
            0.000  -0.000   0.000
 


 orbital moment (y)
 
 # of ion     p       d       tot
 ----------------------------------------
  1        -0.000  -0.000  -0.000
  2        -0.000   0.000  -0.000
  3         0.000   0.000   0.000
  4         0.000   0.000   0.000
  5         0.000  -0.000  -0.000
  6        -0.000   0.000  -0.000
 ----------------------------------------
            0.000  -0.000   0.000
 


 orbital moment (z)
 
 # of ion     p       d       tot
 ----------------------------------------
  1         0.000   0.000   0.000
  2        -0.000  -0.000  -0.000
  3        -0.000  -0.000  -0.000
  4         0.000   0.000   0.000
  5        -0.000  -0.000  -0.000
  6        -0.000  -0.000  -0.000
 ----------------------------------------
           -0.000  -0.000  -0.000

 Spin-Orbit-Coupling matrix elements

 Ion:    1  E_soc:     -0.0868712
 l=   1
     0.0000000    -0.0083755    -0.0084323
    -0.0083755     0.0000000    -0.0083755
    -0.0084323    -0.0083755     0.0000000
 l=   2
     0.0000000    -0.0012166     0.0000000    -0.0012166    -0.0048775
    -0.0012166     0.0000000    -0.0036473    -0.0012137    -0.0012166
     0.0000000    -0.0036473     0.0000000    -0.0036473     0.0000000
    -0.0012166    -0.0012137    -0.0036473     0.0000000    -0.0012166
    -0.0048775    -0.0012166     0.0000000    -0.0012166     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    2  E_soc:     -0.0458493
 l=   1
     0.0000000    -0.0076344    -0.0076632
    -0.0076344     0.0000000    -0.0076344
    -0.0076632    -0.0076344     0.0000000
 l=   2
     0.0000000     0.0000002     0.0000000     0.0000002    -0.0000003
     0.0000002     0.0000000     0.0000021     0.0000028     0.0000002
     0.0000000     0.0000021     0.0000000     0.0000021     0.0000000
     0.0000002     0.0000028     0.0000021     0.0000000     0.0000002
    -0.0000003     0.0000002     0.0000000     0.0000002     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    3  E_soc:     -0.0406883
 l=   1
     0.0000000    -0.0066835    -0.0069806
    -0.0066835     0.0000000    -0.0066835
    -0.0069806    -0.0066835     0.0000000
 l=   2
     0.0000000     0.0000005     0.0000000     0.0000005    -0.0000013
     0.0000005     0.0000000     0.0000007     0.0000014     0.0000005
     0.0000000     0.0000007     0.0000000     0.0000007     0.0000000
     0.0000005     0.0000014     0.0000007     0.0000000     0.0000005
    -0.0000013     0.0000005     0.0000000     0.0000005     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    4  E_soc:     -0.0001522
 l=   1
     0.0000000    -0.0000230    -0.0000301
    -0.0000230     0.0000000    -0.0000230
    -0.0000301    -0.0000230     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    5  E_soc:     -0.1763078
 l=   1
     0.0000000    -0.0293595    -0.0293216
    -0.0293595     0.0000000    -0.0293595
    -0.0293216    -0.0293595     0.0000000
 l=   2
     0.0000000    -0.0000104     0.0000000    -0.0000104    -0.0000203
    -0.0000104     0.0000000    -0.0000195    -0.0000126    -0.0000104
     0.0000000    -0.0000195     0.0000000    -0.0000195     0.0000000
    -0.0000104    -0.0000126    -0.0000195     0.0000000    -0.0000104
    -0.0000203    -0.0000104     0.0000000    -0.0000104     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    6  E_soc:     -0.1769176
 l=   1
     0.0000000    -0.0294349    -0.0294983
    -0.0294349     0.0000000    -0.0294350
    -0.0294983    -0.0294350     0.0000000
 l=   2
     0.0000000    -0.0000079     0.0000000    -0.0000079    -0.0000388
    -0.0000079     0.0000000    -0.0000116     0.0000029    -0.0000079
     0.0000000    -0.0000116     0.0000000    -0.0000116     0.0000000
    -0.0000079     0.0000029    -0.0000116     0.0000000    -0.0000079
    -0.0000388    -0.0000079     0.0000000    -0.0000079     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        1.215   0.861  10.047  12.124
    2        1.482   2.287   0.025   3.793
    3        1.457   2.381   0.020   3.859
    4        1.253   2.301   0.000   3.554
    5        2.022   5.804   0.233   8.060
    6        2.040   5.772   0.293   8.105
--------------------------------------------------
tot          9.470  19.406  10.619  39.494
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000  -0.000  -0.000  -0.000
    3       -0.000  -0.000   0.000  -0.000
    4        0.000   0.000   0.000   0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
--------------------------------------------------
tot          0.000   0.000   0.000   0.000
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000  -0.000   0.000  -0.000
    3       -0.000   0.000   0.000   0.000
    4        0.000   0.001   0.000   0.001
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.001
--------------------------------------------------
tot          0.000   0.001   0.001   0.002
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000  -0.000  -0.000  -0.000
    3       -0.000  -0.000  -0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000  -0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
--------------------------------------------------
tot         -0.000  -0.000   0.000  -0.000
 

 total amount of memory used by VASP MPI-rank0  3365262. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :    2131831. kBytes
   fftplans  :      20710. kBytes
   grid      :     110638. kBytes
   one-center:        373. kBytes
   wavefun   :    1071710. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     5415.141
                            User time (sec):     5361.004
                          System time (sec):       54.137
                         Elapsed time (sec):     5420.562
  
                   Maximum memory used (kb):     4016608.
                   Average memory used (kb):           0.
  
                          Minor page faults:     14322459
                          Major page faults:            0
                 Voluntary context switches:         1732
