Program PWSCF v.7.1 starts on 22Sep2026 at 18:53:36 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors MPI processes distributed on 1 nodes 76371 MiB available memory on the printing compute node when the environment starts Reading input from pwxall.in Warning: card &CELL ignored Warning: card / ignored Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 4 file Sr.pbe-spn-kjpaw_psl.1.0.0.UPF: wavefunction(s) 4P renormalized file N.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Sn.pbe-dn-kjpaw_psl.1.0.0.UPF: wavefunction(s) 5S 5P 4D renormalized file Se.pbe-dn-kjpaw_psl.1.0.0.UPF: wavefunction(s) 4S 4P 3D renormalized IMPORTANT: XC functional enforced from input : Exchange-correlation= VDW-DF3-OPT1 ( 1 4 45 0 3 0 0) Any further DFT definition will be discarded Please, verify this is what you really want Message from routine setup: using ibrav=0 with symmetry is DISCOURAGED, use correct ibrav instead R & G space division: proc/nbgrp/npool/nimage = 32 Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 113 56 15 56249 19878 2861 Max 114 57 16 56298 19913 2912 Sum 3631 1813 499 1800391 636455 92431 Using Slab Decomposition bravais-lattice index = 0 lattice parameter (alat) = 7.3987 a.u. unit-cell volume = 3583.4194 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 4 number of electrons = 71.00 number of Kohn-Sham states= 43 kinetic-energy cutoff = 120.0000 Ry charge density cutoff = 960.0000 Ry scf convergence threshold = 1.0E-12 mixing beta = 0.4000 number of iterations used = 8 plain mixing Exchange-correlation= VDW-DF3-OPT1 ( 1 4 45 0 3 0 0) celldm(1)= 7.398677 celldm(2)= 0.000000 celldm(3)= 0.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 10.216562 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 0.000000 ) b(2) = ( 0.000000 1.154701 0.000000 ) b(3) = ( 0.000000 0.000000 0.097880 ) PseudoPot. # 1 for Sr read from file: <赝势库路径>/Sr.pbe-spn-kjpaw_psl.1.0.0.UPF MD5 check sum: 750ea264445b2625d3db8e9d3ce3615c Pseudo is Projector augmented-wave + core cor, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9392 Shape of augmentation charge: PSQ Using radial grid of 1221 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: <赝势库路径>/N.pbe-n-kjpaw_psl.1.0.0.UPF MD5 check sum: d847c2e69cedab5e67c4110041e7367b Pseudo is Projector augmented-wave + core cor, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9392 Shape of augmentation charge: PSQ Using radial grid of 1085 points, 4 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sn read from file: <赝势库路径>/Sn.pbe-dn-kjpaw_psl.1.0.0.UPF MD5 check sum: 8296d6e5d02f29a53917b6228a948e9b Pseudo is Projector augmented-wave + core cor, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9392 Shape of augmentation charge: PSQ Using radial grid of 1243 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Se read from file: <赝势库路径>/Se.pbe-dn-kjpaw_psl.1.0.0.UPF MD5 check sum: 76824201e6e1fd624b5a02b8d7bc85cc Pseudo is Projector augmented-wave + core cor, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9392 Shape of augmentation charge: PSQ Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sr 10.00 87.62000 Sr( 1.00) N 5.00 14.00700 N ( 1.00) Sn 14.00 118.71000 Sn( 1.00) Se 16.00 78.97100 Se( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) Cartesian axes site n. atom positions (alat units) 1 Sr tau( 1) = ( -0.0000000 0.5773503 4.9638410 ) 2 Sr tau( 2) = ( 0.5000000 0.2886751 4.2801290 ) 3 Sn tau( 3) = ( -0.0000000 0.5773503 5.9753299 ) 4 Se tau( 4) = ( 0.0000000 0.0000000 6.3648997 ) 5 Se tau( 5) = ( 0.5000000 0.2886751 5.5126293 ) 6 N tau( 6) = ( 0.0000000 0.0000000 4.5729816 ) Crystallographic axes site n. atom positions (cryst. coord.) 1 Sr tau( 1) = ( 0.3333333 0.6666667 0.4858622 ) 2 Sr tau( 2) = ( 0.6666667 0.3333333 0.4189402 ) 3 Sn tau( 3) = ( 0.3333333 0.6666667 0.5848670 ) 4 Se tau( 4) = ( 0.0000000 0.0000000 0.6229982 ) 5 Se tau( 5) = ( 0.6666667 0.3333333 0.5395777 ) 6 N tau( 6) = ( 0.0000000 0.0000000 0.4476047 ) number of k points= 374 Gaussian smearing, width (Ry)= 0.0037 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0004883 k( 2) = ( 0.0000000 0.0180422 0.0000000), wk = 0.0029297 k( 3) = ( 0.0000000 0.0360844 0.0000000), wk = 0.0029297 k( 4) = ( 0.0000000 0.0541266 0.0000000), wk = 0.0029297 k( 5) = ( 0.0000000 0.0721688 0.0000000), wk = 0.0029297 k( 6) = ( 0.0000000 0.0902110 0.0000000), wk = 0.0029297 k( 7) = ( 0.0000000 0.1082532 0.0000000), wk = 0.0029297 k( 8) = ( 0.0000000 0.1262954 0.0000000), wk = 0.0029297 k( 9) = ( 0.0000000 0.1443376 0.0000000), wk = 0.0029297 k( 10) = ( 0.0000000 0.1623798 0.0000000), wk = 0.0029297 k( 11) = ( 0.0000000 0.1804220 0.0000000), wk = 0.0029297 k( 12) = ( 0.0000000 0.1984642 0.0000000), wk = 0.0029297 k( 13) = ( 0.0000000 0.2165064 0.0000000), wk = 0.0029297 k( 14) = ( 0.0000000 0.2345485 0.0000000), wk = 0.0029297 k( 15) = ( 0.0000000 0.2525907 0.0000000), wk = 0.0029297 k( 16) = ( 0.0000000 0.2706329 0.0000000), wk = 0.0029297 k( 17) = ( 0.0000000 0.2886751 0.0000000), wk = 0.0029297 k( 18) = ( 0.0000000 0.3067173 0.0000000), wk = 0.0029297 k( 19) = ( 0.0000000 0.3247595 0.0000000), wk = 0.0029297 k( 20) = ( 0.0000000 0.3428017 0.0000000), wk = 0.0029297 k( 21) = ( 0.0000000 0.3608439 0.0000000), wk = 0.0029297 k( 22) = ( 0.0000000 0.3788861 0.0000000), wk = 0.0029297 k( 23) = ( 0.0000000 0.3969283 0.0000000), wk = 0.0029297 k( 24) = ( 0.0000000 0.4149705 0.0000000), wk = 0.0029297 k( 25) = ( 0.0000000 0.4330127 0.0000000), wk = 0.0029297 k( 26) = ( 0.0000000 0.4510549 0.0000000), wk = 0.0029297 k( 27) = ( 0.0000000 0.4690971 0.0000000), wk = 0.0029297 k( 28) = ( 0.0000000 0.4871393 0.0000000), wk = 0.0029297 k( 29) = ( 0.0000000 0.5051815 0.0000000), wk = 0.0029297 k( 30) = ( 0.0000000 0.5232237 0.0000000), wk = 0.0029297 k( 31) = ( 0.0000000 0.5412659 0.0000000), wk = 0.0029297 k( 32) = ( 0.0000000 0.5593081 0.0000000), wk = 0.0029297 k( 33) = ( 0.0000000 -0.5773503 0.0000000), wk = 0.0014648 k( 34) = ( 0.0156250 0.0270633 0.0000000), wk = 0.0029297 k( 35) = ( 0.0156250 0.0451055 0.0000000), wk = 0.0058594 k( 36) = ( 0.0156250 0.0631477 0.0000000), wk = 0.0058594 k( 37) = ( 0.0156250 0.0811899 0.0000000), wk = 0.0058594 k( 38) = ( 0.0156250 0.0992321 0.0000000), wk = 0.0058594 k( 39) = ( 0.0156250 0.1172743 0.0000000), wk = 0.0058594 k( 40) = ( 0.0156250 0.1353165 0.0000000), wk = 0.0058594 k( 41) = ( 0.0156250 0.1533587 0.0000000), wk = 0.0058594 k( 42) = ( 0.0156250 0.1714009 0.0000000), wk = 0.0058594 k( 43) = ( 0.0156250 0.1894431 0.0000000), wk = 0.0058594 k( 44) = ( 0.0156250 0.2074853 0.0000000), wk = 0.0058594 k( 45) = ( 0.0156250 0.2255274 0.0000000), wk = 0.0058594 k( 46) = ( 0.0156250 0.2435696 0.0000000), wk = 0.0058594 k( 47) = ( 0.0156250 0.2616118 0.0000000), wk = 0.0058594 k( 48) = ( 0.0156250 0.2796540 0.0000000), wk = 0.0058594 k( 49) = ( 0.0156250 0.2976962 0.0000000), wk = 0.0058594 k( 50) = ( 0.0156250 0.3157384 0.0000000), wk = 0.0058594 k( 51) = ( 0.0156250 0.3337806 0.0000000), wk = 0.0058594 k( 52) = ( 0.0156250 0.3518228 0.0000000), wk = 0.0058594 k( 53) = ( 0.0156250 0.3698650 0.0000000), wk = 0.0058594 k( 54) = ( 0.0156250 0.3879072 0.0000000), wk = 0.0058594 k( 55) = ( 0.0156250 0.4059494 0.0000000), wk = 0.0058594 k( 56) = ( 0.0156250 0.4239916 0.0000000), wk = 0.0058594 k( 57) = ( 0.0156250 0.4420338 0.0000000), wk = 0.0058594 k( 58) = ( 0.0156250 0.4600760 0.0000000), wk = 0.0058594 k( 59) = ( 0.0156250 0.4781182 0.0000000), wk = 0.0058594 k( 60) = ( 0.0156250 0.4961604 0.0000000), wk = 0.0058594 k( 61) = ( 0.0156250 0.5142026 0.0000000), wk = 0.0058594 k( 62) = ( 0.0156250 0.5322448 0.0000000), wk = 0.0058594 k( 63) = ( 0.0156250 0.5502870 0.0000000), wk = 0.0058594 k( 64) = ( 0.0156250 0.5683292 0.0000000), wk = 0.0058594 k( 65) = ( 0.0312500 0.0541266 0.0000000), wk = 0.0029297 k( 66) = ( 0.0312500 0.0721688 0.0000000), wk = 0.0058594 k( 67) = ( 0.0312500 0.0902110 0.0000000), wk = 0.0058594 k( 68) = ( 0.0312500 0.1082532 0.0000000), wk = 0.0058594 k( 69) = ( 0.0312500 0.1262954 0.0000000), wk = 0.0058594 k( 70) = ( 0.0312500 0.1443376 0.0000000), wk = 0.0058594 k( 71) = ( 0.0312500 0.1623798 0.0000000), wk = 0.0058594 k( 72) = ( 0.0312500 0.1804220 0.0000000), wk = 0.0058594 k( 73) = ( 0.0312500 0.1984642 0.0000000), wk = 0.0058594 k( 74) = ( 0.0312500 0.2165064 0.0000000), wk = 0.0058594 k( 75) = ( 0.0312500 0.2345485 0.0000000), wk = 0.0058594 k( 76) = ( 0.0312500 0.2525907 0.0000000), wk = 0.0058594 k( 77) = ( 0.0312500 0.2706329 0.0000000), wk = 0.0058594 k( 78) = ( 0.0312500 0.2886751 0.0000000), wk = 0.0058594 k( 79) = ( 0.0312500 0.3067173 0.0000000), wk = 0.0058594 k( 80) = ( 0.0312500 0.3247595 0.0000000), wk = 0.0058594 k( 81) = ( 0.0312500 0.3428017 0.0000000), wk = 0.0058594 k( 82) = ( 0.0312500 0.3608439 0.0000000), wk = 0.0058594 k( 83) = ( 0.0312500 0.3788861 0.0000000), wk = 0.0058594 k( 84) = ( 0.0312500 0.3969283 0.0000000), wk = 0.0058594 k( 85) = ( 0.0312500 0.4149705 0.0000000), wk = 0.0058594 k( 86) = ( 0.0312500 0.4330127 0.0000000), wk = 0.0058594 k( 87) = ( 0.0312500 0.4510549 0.0000000), wk = 0.0058594 k( 88) = ( 0.0312500 0.4690971 0.0000000), wk = 0.0058594 k( 89) = ( 0.0312500 0.4871393 0.0000000), wk = 0.0058594 k( 90) = ( 0.0312500 0.5051815 0.0000000), wk = 0.0058594 k( 91) = ( 0.0312500 0.5232237 0.0000000), wk = 0.0058594 k( 92) = ( 0.0312500 0.5412659 0.0000000), wk = 0.0058594 k( 93) = ( 0.0312500 0.5593081 0.0000000), wk = 0.0058594 k( 94) = ( 0.0312500 0.5773503 0.0000000), wk = 0.0029297 k( 95) = ( 0.0468750 0.0811899 0.0000000), wk = 0.0029297 k( 96) = ( 0.0468750 0.0992321 0.0000000), wk = 0.0058594 k( 97) = ( 0.0468750 0.1172743 0.0000000), wk = 0.0058594 k( 98) = ( 0.0468750 0.1353165 0.0000000), wk = 0.0058594 k( 99) = ( 0.0468750 0.1533587 0.0000000), wk = 0.0058594 k( 100) = ( 0.0468750 0.1714009 0.0000000), wk = 0.0058594 k( 101) = ( 0.0468750 0.1894431 0.0000000), wk = 0.0058594 k( 102) = ( 0.0468750 0.2074853 0.0000000), wk = 0.0058594 k( 103) = ( 0.0468750 0.2255274 0.0000000), wk = 0.0058594 k( 104) = ( 0.0468750 0.2435696 0.0000000), wk = 0.0058594 k( 105) = ( 0.0468750 0.2616118 0.0000000), wk = 0.0058594 k( 106) = ( 0.0468750 0.2796540 0.0000000), wk = 0.0058594 k( 107) = ( 0.0468750 0.2976962 0.0000000), wk = 0.0058594 k( 108) = ( 0.0468750 0.3157384 0.0000000), wk = 0.0058594 k( 109) = ( 0.0468750 0.3337806 0.0000000), wk = 0.0058594 k( 110) = ( 0.0468750 0.3518228 0.0000000), wk = 0.0058594 k( 111) = ( 0.0468750 0.3698650 0.0000000), wk = 0.0058594 k( 112) = ( 0.0468750 0.3879072 0.0000000), wk = 0.0058594 k( 113) = ( 0.0468750 0.4059494 0.0000000), wk = 0.0058594 k( 114) = ( 0.0468750 0.4239916 0.0000000), wk = 0.0058594 k( 115) = ( 0.0468750 0.4420338 0.0000000), wk = 0.0058594 k( 116) = ( 0.0468750 0.4600760 0.0000000), wk = 0.0058594 k( 117) = ( 0.0468750 0.4781182 0.0000000), wk = 0.0058594 k( 118) = ( 0.0468750 0.4961604 0.0000000), wk = 0.0058594 k( 119) = ( 0.0468750 0.5142026 0.0000000), wk = 0.0058594 k( 120) = ( 0.0468750 0.5322448 0.0000000), wk = 0.0058594 k( 121) = ( 0.0468750 0.5502870 0.0000000), wk = 0.0058594 k( 122) = ( 0.0468750 0.5683292 0.0000000), wk = 0.0058594 k( 123) = ( 0.0625000 0.1082532 0.0000000), wk = 0.0029297 k( 124) = ( 0.0625000 0.1262954 0.0000000), wk = 0.0058594 k( 125) = ( 0.0625000 0.1443376 0.0000000), wk = 0.0058594 k( 126) = ( 0.0625000 0.1623798 0.0000000), wk = 0.0058594 k( 127) = ( 0.0625000 0.1804220 0.0000000), wk = 0.0058594 k( 128) = ( 0.0625000 0.1984642 0.0000000), wk = 0.0058594 k( 129) = ( 0.0625000 0.2165064 0.0000000), wk = 0.0058594 k( 130) = ( 0.0625000 0.2345485 0.0000000), wk = 0.0058594 k( 131) = ( 0.0625000 0.2525907 0.0000000), wk = 0.0058594 k( 132) = ( 0.0625000 0.2706329 0.0000000), wk = 0.0058594 k( 133) = ( 0.0625000 0.2886751 0.0000000), wk = 0.0058594 k( 134) = ( 0.0625000 0.3067173 0.0000000), wk = 0.0058594 k( 135) = ( 0.0625000 0.3247595 0.0000000), wk = 0.0058594 k( 136) = ( 0.0625000 0.3428017 0.0000000), wk = 0.0058594 k( 137) = ( 0.0625000 0.3608439 0.0000000), wk = 0.0058594 k( 138) = ( 0.0625000 0.3788861 0.0000000), wk = 0.0058594 k( 139) = ( 0.0625000 0.3969283 0.0000000), wk = 0.0058594 k( 140) = ( 0.0625000 0.4149705 0.0000000), wk = 0.0058594 k( 141) = ( 0.0625000 0.4330127 0.0000000), wk = 0.0058594 k( 142) = ( 0.0625000 0.4510549 0.0000000), wk = 0.0058594 k( 143) = ( 0.0625000 0.4690971 0.0000000), wk = 0.0058594 k( 144) = ( 0.0625000 0.4871393 0.0000000), wk = 0.0058594 k( 145) = ( 0.0625000 0.5051815 0.0000000), wk = 0.0058594 k( 146) = ( 0.0625000 0.5232237 0.0000000), wk = 0.0058594 k( 147) = ( 0.0625000 0.5412659 0.0000000), wk = 0.0058594 k( 148) = ( 0.0625000 0.5593081 0.0000000), wk = 0.0058594 k( 149) = ( 0.0625000 0.5773503 0.0000000), wk = 0.0029297 k( 150) = ( 0.0781250 0.1353165 0.0000000), wk = 0.0029297 k( 151) = ( 0.0781250 0.1533587 0.0000000), wk = 0.0058594 k( 152) = ( 0.0781250 0.1714009 0.0000000), wk = 0.0058594 k( 153) = ( 0.0781250 0.1894431 0.0000000), wk = 0.0058594 k( 154) = ( 0.0781250 0.2074853 0.0000000), wk = 0.0058594 k( 155) = ( 0.0781250 0.2255274 0.0000000), wk = 0.0058594 k( 156) = ( 0.0781250 0.2435696 0.0000000), wk = 0.0058594 k( 157) = ( 0.0781250 0.2616118 0.0000000), wk = 0.0058594 k( 158) = ( 0.0781250 0.2796540 0.0000000), wk = 0.0058594 k( 159) = ( 0.0781250 0.2976962 0.0000000), wk = 0.0058594 k( 160) = ( 0.0781250 0.3157384 0.0000000), wk = 0.0058594 k( 161) = ( 0.0781250 0.3337806 0.0000000), wk = 0.0058594 k( 162) = ( 0.0781250 0.3518228 0.0000000), wk = 0.0058594 k( 163) = ( 0.0781250 0.3698650 0.0000000), wk = 0.0058594 k( 164) = ( 0.0781250 0.3879072 0.0000000), wk = 0.0058594 k( 165) = ( 0.0781250 0.4059494 0.0000000), wk = 0.0058594 k( 166) = ( 0.0781250 0.4239916 0.0000000), wk = 0.0058594 k( 167) = ( 0.0781250 0.4420338 0.0000000), wk = 0.0058594 k( 168) = ( 0.0781250 0.4600760 0.0000000), wk = 0.0058594 k( 169) = ( 0.0781250 0.4781182 0.0000000), wk = 0.0058594 k( 170) = ( 0.0781250 0.4961604 0.0000000), wk = 0.0058594 k( 171) = ( 0.0781250 0.5142026 0.0000000), wk = 0.0058594 k( 172) = ( 0.0781250 0.5322448 0.0000000), wk = 0.0058594 k( 173) = ( 0.0781250 0.5502870 0.0000000), wk = 0.0058594 k( 174) = ( 0.0781250 0.5683292 0.0000000), wk = 0.0058594 k( 175) = ( 0.0937500 0.1623798 0.0000000), wk = 0.0029297 k( 176) = ( 0.0937500 0.1804220 0.0000000), wk = 0.0058594 k( 177) = ( 0.0937500 0.1984642 0.0000000), wk = 0.0058594 k( 178) = ( 0.0937500 0.2165064 0.0000000), wk = 0.0058594 k( 179) = ( 0.0937500 0.2345485 0.0000000), wk = 0.0058594 k( 180) = ( 0.0937500 0.2525907 0.0000000), wk = 0.0058594 k( 181) = ( 0.0937500 0.2706329 0.0000000), wk = 0.0058594 k( 182) = ( 0.0937500 0.2886751 0.0000000), wk = 0.0058594 k( 183) = ( 0.0937500 0.3067173 0.0000000), wk = 0.0058594 k( 184) = ( 0.0937500 0.3247595 0.0000000), wk = 0.0058594 k( 185) = ( 0.0937500 0.3428017 0.0000000), wk = 0.0058594 k( 186) = ( 0.0937500 0.3608439 0.0000000), wk = 0.0058594 k( 187) = ( 0.0937500 0.3788861 0.0000000), wk = 0.0058594 k( 188) = ( 0.0937500 0.3969283 0.0000000), wk = 0.0058594 k( 189) = ( 0.0937500 0.4149705 0.0000000), wk = 0.0058594 k( 190) = ( 0.0937500 0.4330127 0.0000000), wk = 0.0058594 k( 191) = ( 0.0937500 0.4510549 0.0000000), wk = 0.0058594 k( 192) = ( 0.0937500 0.4690971 0.0000000), wk = 0.0058594 k( 193) = ( 0.0937500 0.4871393 0.0000000), wk = 0.0058594 k( 194) = ( 0.0937500 0.5051815 0.0000000), wk = 0.0058594 k( 195) = ( 0.0937500 0.5232237 0.0000000), wk = 0.0058594 k( 196) = ( 0.0937500 0.5412659 0.0000000), wk = 0.0058594 k( 197) = ( 0.0937500 0.5593081 0.0000000), wk = 0.0058594 k( 198) = ( 0.0937500 0.5773503 0.0000000), wk = 0.0029297 k( 199) = ( 0.1093750 0.1894431 0.0000000), wk = 0.0029297 k( 200) = ( 0.1093750 0.2074853 0.0000000), wk = 0.0058594 k( 201) = ( 0.1093750 0.2255274 0.0000000), wk = 0.0058594 k( 202) = ( 0.1093750 0.2435696 0.0000000), wk = 0.0058594 k( 203) = ( 0.1093750 0.2616118 0.0000000), wk = 0.0058594 k( 204) = ( 0.1093750 0.2796540 0.0000000), wk = 0.0058594 k( 205) = ( 0.1093750 0.2976962 0.0000000), wk = 0.0058594 k( 206) = ( 0.1093750 0.3157384 0.0000000), wk = 0.0058594 k( 207) = ( 0.1093750 0.3337806 0.0000000), wk = 0.0058594 k( 208) = ( 0.1093750 0.3518228 0.0000000), wk = 0.0058594 k( 209) = ( 0.1093750 0.3698650 0.0000000), wk = 0.0058594 k( 210) = ( 0.1093750 0.3879072 0.0000000), wk = 0.0058594 k( 211) = ( 0.1093750 0.4059494 0.0000000), wk = 0.0058594 k( 212) = ( 0.1093750 0.4239916 0.0000000), wk = 0.0058594 k( 213) = ( 0.1093750 0.4420338 0.0000000), wk = 0.0058594 k( 214) = ( 0.1093750 0.4600760 0.0000000), wk = 0.0058594 k( 215) = ( 0.1093750 0.4781182 0.0000000), wk = 0.0058594 k( 216) = ( 0.1093750 0.4961604 0.0000000), wk = 0.0058594 k( 217) = ( 0.1093750 0.5142026 0.0000000), wk = 0.0058594 k( 218) = ( 0.1093750 0.5322448 0.0000000), wk = 0.0058594 k( 219) = ( 0.1093750 0.5502870 0.0000000), wk = 0.0058594 k( 220) = ( 0.1093750 0.5683292 0.0000000), wk = 0.0058594 k( 221) = ( 0.1250000 0.2165064 0.0000000), wk = 0.0029297 k( 222) = ( 0.1250000 0.2345485 0.0000000), wk = 0.0058594 k( 223) = ( 0.1250000 0.2525907 0.0000000), wk = 0.0058594 k( 224) = ( 0.1250000 0.2706329 0.0000000), wk = 0.0058594 k( 225) = ( 0.1250000 0.2886751 0.0000000), wk = 0.0058594 k( 226) = ( 0.1250000 0.3067173 0.0000000), wk = 0.0058594 k( 227) = ( 0.1250000 0.3247595 0.0000000), wk = 0.0058594 k( 228) = ( 0.1250000 0.3428017 0.0000000), wk = 0.0058594 k( 229) = ( 0.1250000 0.3608439 0.0000000), wk = 0.0058594 k( 230) = ( 0.1250000 0.3788861 0.0000000), wk = 0.0058594 k( 231) = ( 0.1250000 0.3969283 0.0000000), wk = 0.0058594 k( 232) = ( 0.1250000 0.4149705 0.0000000), wk = 0.0058594 k( 233) = ( 0.1250000 0.4330127 0.0000000), wk = 0.0058594 k( 234) = ( 0.1250000 0.4510549 0.0000000), wk = 0.0058594 k( 235) = ( 0.1250000 0.4690971 0.0000000), wk = 0.0058594 k( 236) = ( 0.1250000 0.4871393 0.0000000), wk = 0.0058594 k( 237) = ( 0.1250000 0.5051815 0.0000000), wk = 0.0058594 k( 238) = ( 0.1250000 0.5232237 0.0000000), wk = 0.0058594 k( 239) = ( 0.1250000 0.5412659 0.0000000), wk = 0.0058594 k( 240) = ( 0.1250000 0.5593081 0.0000000), wk = 0.0058594 k( 241) = ( 0.1250000 0.5773503 0.0000000), wk = 0.0029297 k( 242) = ( 0.1406250 0.2435696 0.0000000), wk = 0.0029297 k( 243) = ( 0.1406250 0.2616118 0.0000000), wk = 0.0058594 k( 244) = ( 0.1406250 0.2796540 0.0000000), wk = 0.0058594 k( 245) = ( 0.1406250 0.2976962 0.0000000), wk = 0.0058594 k( 246) = ( 0.1406250 0.3157384 0.0000000), wk = 0.0058594 k( 247) = ( 0.1406250 0.3337806 0.0000000), wk = 0.0058594 k( 248) = ( 0.1406250 0.3518228 0.0000000), wk = 0.0058594 k( 249) = ( 0.1406250 0.3698650 0.0000000), wk = 0.0058594 k( 250) = ( 0.1406250 0.3879072 0.0000000), wk = 0.0058594 k( 251) = ( 0.1406250 0.4059494 0.0000000), wk = 0.0058594 k( 252) = ( 0.1406250 0.4239916 0.0000000), wk = 0.0058594 k( 253) = ( 0.1406250 0.4420338 0.0000000), wk = 0.0058594 k( 254) = ( 0.1406250 0.4600760 0.0000000), wk = 0.0058594 k( 255) = ( 0.1406250 0.4781182 0.0000000), wk = 0.0058594 k( 256) = ( 0.1406250 0.4961604 0.0000000), wk = 0.0058594 k( 257) = ( 0.1406250 0.5142026 0.0000000), wk = 0.0058594 k( 258) = ( 0.1406250 0.5322448 0.0000000), wk = 0.0058594 k( 259) = ( 0.1406250 0.5502870 0.0000000), wk = 0.0058594 k( 260) = ( 0.1406250 0.5683292 0.0000000), wk = 0.0058594 k( 261) = ( 0.1562500 0.2706329 0.0000000), wk = 0.0029297 k( 262) = ( 0.1562500 0.2886751 0.0000000), wk = 0.0058594 k( 263) = ( 0.1562500 0.3067173 0.0000000), wk = 0.0058594 k( 264) = ( 0.1562500 0.3247595 0.0000000), wk = 0.0058594 k( 265) = ( 0.1562500 0.3428017 0.0000000), wk = 0.0058594 k( 266) = ( 0.1562500 0.3608439 0.0000000), wk = 0.0058594 k( 267) = ( 0.1562500 0.3788861 0.0000000), wk = 0.0058594 k( 268) = ( 0.1562500 0.3969283 0.0000000), wk = 0.0058594 k( 269) = ( 0.1562500 0.4149705 0.0000000), wk = 0.0058594 k( 270) = ( 0.1562500 0.4330127 0.0000000), wk = 0.0058594 k( 271) = ( 0.1562500 0.4510549 0.0000000), wk = 0.0058594 k( 272) = ( 0.1562500 0.4690971 0.0000000), wk = 0.0058594 k( 273) = ( 0.1562500 0.4871393 0.0000000), wk = 0.0058594 k( 274) = ( 0.1562500 0.5051815 0.0000000), wk = 0.0058594 k( 275) = ( 0.1562500 0.5232237 0.0000000), wk = 0.0058594 k( 276) = ( 0.1562500 0.5412659 0.0000000), wk = 0.0058594 k( 277) = ( 0.1562500 0.5593081 0.0000000), wk = 0.0058594 k( 278) = ( 0.1562500 0.5773503 0.0000000), wk = 0.0029297 k( 279) = ( 0.1718750 0.2976962 0.0000000), wk = 0.0029297 k( 280) = ( 0.1718750 0.3157384 0.0000000), wk = 0.0058594 k( 281) = ( 0.1718750 0.3337806 0.0000000), wk = 0.0058594 k( 282) = ( 0.1718750 0.3518228 0.0000000), wk = 0.0058594 k( 283) = ( 0.1718750 0.3698650 0.0000000), wk = 0.0058594 k( 284) = ( 0.1718750 0.3879072 0.0000000), wk = 0.0058594 k( 285) = ( 0.1718750 0.4059494 0.0000000), wk = 0.0058594 k( 286) = ( 0.1718750 0.4239916 0.0000000), wk = 0.0058594 k( 287) = ( 0.1718750 0.4420338 0.0000000), wk = 0.0058594 k( 288) = ( 0.1718750 0.4600760 0.0000000), wk = 0.0058594 k( 289) = ( 0.1718750 0.4781182 0.0000000), wk = 0.0058594 k( 290) = ( 0.1718750 0.4961604 0.0000000), wk = 0.0058594 k( 291) = ( 0.1718750 0.5142026 0.0000000), wk = 0.0058594 k( 292) = ( 0.1718750 0.5322448 0.0000000), wk = 0.0058594 k( 293) = ( 0.1718750 0.5502870 0.0000000), wk = 0.0058594 k( 294) = ( 0.1718750 0.5683292 0.0000000), wk = 0.0058594 k( 295) = ( 0.1875000 0.3247595 0.0000000), wk = 0.0029297 k( 296) = ( 0.1875000 0.3428017 0.0000000), wk = 0.0058594 k( 297) = ( 0.1875000 0.3608439 0.0000000), wk = 0.0058594 k( 298) = ( 0.1875000 0.3788861 0.0000000), wk = 0.0058594 k( 299) = ( 0.1875000 0.3969283 0.0000000), wk = 0.0058594 k( 300) = ( 0.1875000 0.4149705 0.0000000), wk = 0.0058594 k( 301) = ( 0.1875000 0.4330127 0.0000000), wk = 0.0058594 k( 302) = ( 0.1875000 0.4510549 0.0000000), wk = 0.0058594 k( 303) = ( 0.1875000 0.4690971 0.0000000), wk = 0.0058594 k( 304) = ( 0.1875000 0.4871393 0.0000000), wk = 0.0058594 k( 305) = ( 0.1875000 0.5051815 0.0000000), wk = 0.0058594 k( 306) = ( 0.1875000 0.5232237 0.0000000), wk = 0.0058594 k( 307) = ( 0.1875000 0.5412659 0.0000000), wk = 0.0058594 k( 308) = ( 0.1875000 0.5593081 0.0000000), wk = 0.0058594 k( 309) = ( 0.1875000 0.5773503 0.0000000), wk = 0.0029297 k( 310) = ( 0.2031250 0.3518228 0.0000000), wk = 0.0029297 k( 311) = ( 0.2031250 0.3698650 0.0000000), wk = 0.0058594 k( 312) = ( 0.2031250 0.3879072 0.0000000), wk = 0.0058594 k( 313) = ( 0.2031250 0.4059494 0.0000000), wk = 0.0058594 k( 314) = ( 0.2031250 0.4239916 0.0000000), wk = 0.0058594 k( 315) = ( 0.2031250 0.4420338 0.0000000), wk = 0.0058594 k( 316) = ( 0.2031250 0.4600760 0.0000000), wk = 0.0058594 k( 317) = ( 0.2031250 0.4781182 0.0000000), wk = 0.0058594 k( 318) = ( 0.2031250 0.4961604 0.0000000), wk = 0.0058594 k( 319) = ( 0.2031250 0.5142026 0.0000000), wk = 0.0058594 k( 320) = ( 0.2031250 0.5322448 0.0000000), wk = 0.0058594 k( 321) = ( 0.2031250 0.5502870 0.0000000), wk = 0.0058594 k( 322) = ( 0.2031250 0.5683292 0.0000000), wk = 0.0058594 k( 323) = ( 0.2187500 0.3788861 0.0000000), wk = 0.0029297 k( 324) = ( 0.2187500 0.3969283 0.0000000), wk = 0.0058594 k( 325) = ( 0.2187500 0.4149705 0.0000000), wk = 0.0058594 k( 326) = ( 0.2187500 0.4330127 0.0000000), wk = 0.0058594 k( 327) = ( 0.2187500 0.4510549 0.0000000), wk = 0.0058594 k( 328) = ( 0.2187500 0.4690971 0.0000000), wk = 0.0058594 k( 329) = ( 0.2187500 0.4871393 0.0000000), wk = 0.0058594 k( 330) = ( 0.2187500 0.5051815 0.0000000), wk = 0.0058594 k( 331) = ( 0.2187500 0.5232237 0.0000000), wk = 0.0058594 k( 332) = ( 0.2187500 0.5412659 0.0000000), wk = 0.0058594 k( 333) = ( 0.2187500 0.5593081 0.0000000), wk = 0.0058594 k( 334) = ( 0.2187500 0.5773503 0.0000000), wk = 0.0029297 k( 335) = ( 0.2343750 0.4059494 0.0000000), wk = 0.0029297 k( 336) = ( 0.2343750 0.4239916 0.0000000), wk = 0.0058594 k( 337) = ( 0.2343750 0.4420338 0.0000000), wk = 0.0058594 k( 338) = ( 0.2343750 0.4600760 0.0000000), wk = 0.0058594 k( 339) = ( 0.2343750 0.4781182 0.0000000), wk = 0.0058594 k( 340) = ( 0.2343750 0.4961604 0.0000000), wk = 0.0058594 k( 341) = ( 0.2343750 0.5142026 0.0000000), wk = 0.0058594 k( 342) = ( 0.2343750 0.5322448 0.0000000), wk = 0.0058594 k( 343) = ( 0.2343750 0.5502870 0.0000000), wk = 0.0058594 k( 344) = ( 0.2343750 0.5683292 0.0000000), wk = 0.0058594 k( 345) = ( 0.2500000 0.4330127 0.0000000), wk = 0.0029297 k( 346) = ( 0.2500000 0.4510549 0.0000000), wk = 0.0058594 k( 347) = ( 0.2500000 0.4690971 0.0000000), wk = 0.0058594 k( 348) = ( 0.2500000 0.4871393 0.0000000), wk = 0.0058594 k( 349) = ( 0.2500000 0.5051815 0.0000000), wk = 0.0058594 k( 350) = ( 0.2500000 0.5232237 0.0000000), wk = 0.0058594 k( 351) = ( 0.2500000 0.5412659 0.0000000), wk = 0.0058594 k( 352) = ( 0.2500000 0.5593081 0.0000000), wk = 0.0058594 k( 353) = ( 0.2500000 0.5773503 0.0000000), wk = 0.0029297 k( 354) = ( 0.2656250 0.4600760 0.0000000), wk = 0.0029297 k( 355) = ( 0.2656250 0.4781182 0.0000000), wk = 0.0058594 k( 356) = ( 0.2656250 0.4961604 0.0000000), wk = 0.0058594 k( 357) = ( 0.2656250 0.5142026 0.0000000), wk = 0.0058594 k( 358) = ( 0.2656250 0.5322448 0.0000000), wk = 0.0058594 k( 359) = ( 0.2656250 0.5502870 0.0000000), wk = 0.0058594 k( 360) = ( 0.2656250 0.5683292 0.0000000), wk = 0.0058594 k( 361) = ( 0.2812500 0.4871393 0.0000000), wk = 0.0029297 k( 362) = ( 0.2812500 0.5051815 0.0000000), wk = 0.0058594 k( 363) = ( 0.2812500 0.5232237 0.0000000), wk = 0.0058594 k( 364) = ( 0.2812500 0.5412659 0.0000000), wk = 0.0058594 k( 365) = ( 0.2812500 0.5593081 0.0000000), wk = 0.0058594 k( 366) = ( 0.2812500 0.5773503 0.0000000), wk = 0.0029297 k( 367) = ( 0.2968750 0.5142026 0.0000000), wk = 0.0029297 k( 368) = ( 0.2968750 0.5322448 0.0000000), wk = 0.0058594 k( 369) = ( 0.2968750 0.5502870 0.0000000), wk = 0.0058594 k( 370) = ( 0.2968750 0.5683292 0.0000000), wk = 0.0058594 k( 371) = ( 0.3125000 0.5412659 0.0000000), wk = 0.0029297 k( 372) = ( 0.3125000 0.5593081 0.0000000), wk = 0.0058594 k( 373) = ( 0.3125000 0.5773503 0.0000000), wk = 0.0029297 k( 374) = ( 0.3281250 0.5683292 0.0000000), wk = 0.0029297 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0004883 k( 2) = ( 0.0000000 0.0156250 0.0000000), wk = 0.0029297 k( 3) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0029297 k( 4) = ( 0.0000000 0.0468750 0.0000000), wk = 0.0029297 k( 5) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0029297 k( 6) = ( 0.0000000 0.0781250 0.0000000), wk = 0.0029297 k( 7) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0029297 k( 8) = ( 0.0000000 0.1093750 0.0000000), wk = 0.0029297 k( 9) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0029297 k( 10) = ( 0.0000000 0.1406250 0.0000000), wk = 0.0029297 k( 11) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0029297 k( 12) = ( 0.0000000 0.1718750 0.0000000), wk = 0.0029297 k( 13) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0029297 k( 14) = ( 0.0000000 0.2031250 0.0000000), wk = 0.0029297 k( 15) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0029297 k( 16) = ( 0.0000000 0.2343750 0.0000000), wk = 0.0029297 k( 17) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0029297 k( 18) = ( 0.0000000 0.2656250 0.0000000), wk = 0.0029297 k( 19) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0029297 k( 20) = ( 0.0000000 0.2968750 0.0000000), wk = 0.0029297 k( 21) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0029297 k( 22) = ( 0.0000000 0.3281250 0.0000000), wk = 0.0029297 k( 23) = ( 0.0000000 0.3437500 0.0000000), wk = 0.0029297 k( 24) = ( 0.0000000 0.3593750 0.0000000), wk = 0.0029297 k( 25) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0029297 k( 26) = ( 0.0000000 0.3906250 0.0000000), wk = 0.0029297 k( 27) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0029297 k( 28) = ( 0.0000000 0.4218750 0.0000000), wk = 0.0029297 k( 29) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0029297 k( 30) = ( 0.0000000 0.4531250 0.0000000), wk = 0.0029297 k( 31) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0029297 k( 32) = ( 0.0000000 0.4843750 0.0000000), wk = 0.0029297 k( 33) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0014648 k( 34) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0029297 k( 35) = ( 0.0156250 0.0312500 0.0000000), wk = 0.0058594 k( 36) = ( 0.0156250 0.0468750 0.0000000), wk = 0.0058594 k( 37) = ( 0.0156250 0.0625000 0.0000000), wk = 0.0058594 k( 38) = ( 0.0156250 0.0781250 0.0000000), wk = 0.0058594 k( 39) = ( 0.0156250 0.0937500 0.0000000), wk = 0.0058594 k( 40) = ( 0.0156250 0.1093750 0.0000000), wk = 0.0058594 k( 41) = ( 0.0156250 0.1250000 0.0000000), wk = 0.0058594 k( 42) = ( 0.0156250 0.1406250 0.0000000), wk = 0.0058594 k( 43) = ( 0.0156250 0.1562500 0.0000000), wk = 0.0058594 k( 44) = ( 0.0156250 0.1718750 0.0000000), wk = 0.0058594 k( 45) = ( 0.0156250 0.1875000 0.0000000), wk = 0.0058594 k( 46) = ( 0.0156250 0.2031250 0.0000000), wk = 0.0058594 k( 47) = ( 0.0156250 0.2187500 0.0000000), wk = 0.0058594 k( 48) = ( 0.0156250 0.2343750 0.0000000), wk = 0.0058594 k( 49) = ( 0.0156250 0.2500000 0.0000000), wk = 0.0058594 k( 50) = ( 0.0156250 0.2656250 0.0000000), wk = 0.0058594 k( 51) = ( 0.0156250 0.2812500 0.0000000), wk = 0.0058594 k( 52) = ( 0.0156250 0.2968750 0.0000000), wk = 0.0058594 k( 53) = ( 0.0156250 0.3125000 0.0000000), wk = 0.0058594 k( 54) = ( 0.0156250 0.3281250 0.0000000), wk = 0.0058594 k( 55) = ( 0.0156250 0.3437500 0.0000000), wk = 0.0058594 k( 56) = ( 0.0156250 0.3593750 0.0000000), wk = 0.0058594 k( 57) = ( 0.0156250 0.3750000 0.0000000), wk = 0.0058594 k( 58) = ( 0.0156250 0.3906250 0.0000000), wk = 0.0058594 k( 59) = ( 0.0156250 0.4062500 0.0000000), wk = 0.0058594 k( 60) = ( 0.0156250 0.4218750 0.0000000), wk = 0.0058594 k( 61) = ( 0.0156250 0.4375000 0.0000000), wk = 0.0058594 k( 62) = ( 0.0156250 0.4531250 0.0000000), wk = 0.0058594 k( 63) = ( 0.0156250 0.4687500 0.0000000), wk = 0.0058594 k( 64) = ( 0.0156250 0.4843750 0.0000000), wk = 0.0058594 k( 65) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0029297 k( 66) = ( 0.0312500 0.0468750 0.0000000), wk = 0.0058594 k( 67) = ( 0.0312500 0.0625000 0.0000000), wk = 0.0058594 k( 68) = ( 0.0312500 0.0781250 0.0000000), wk = 0.0058594 k( 69) = ( 0.0312500 0.0937500 0.0000000), wk = 0.0058594 k( 70) = ( 0.0312500 0.1093750 0.0000000), wk = 0.0058594 k( 71) = ( 0.0312500 0.1250000 0.0000000), wk = 0.0058594 k( 72) = ( 0.0312500 0.1406250 0.0000000), wk = 0.0058594 k( 73) = ( 0.0312500 0.1562500 0.0000000), wk = 0.0058594 k( 74) = ( 0.0312500 0.1718750 0.0000000), wk = 0.0058594 k( 75) = ( 0.0312500 0.1875000 0.0000000), wk = 0.0058594 k( 76) = ( 0.0312500 0.2031250 0.0000000), wk = 0.0058594 k( 77) = ( 0.0312500 0.2187500 0.0000000), wk = 0.0058594 k( 78) = ( 0.0312500 0.2343750 0.0000000), wk = 0.0058594 k( 79) = ( 0.0312500 0.2500000 0.0000000), wk = 0.0058594 k( 80) = ( 0.0312500 0.2656250 0.0000000), wk = 0.0058594 k( 81) = ( 0.0312500 0.2812500 0.0000000), wk = 0.0058594 k( 82) = ( 0.0312500 0.2968750 0.0000000), wk = 0.0058594 k( 83) = ( 0.0312500 0.3125000 0.0000000), wk = 0.0058594 k( 84) = ( 0.0312500 0.3281250 0.0000000), wk = 0.0058594 k( 85) = ( 0.0312500 0.3437500 0.0000000), wk = 0.0058594 k( 86) = ( 0.0312500 0.3593750 0.0000000), wk = 0.0058594 k( 87) = ( 0.0312500 0.3750000 0.0000000), wk = 0.0058594 k( 88) = ( 0.0312500 0.3906250 0.0000000), wk = 0.0058594 k( 89) = ( 0.0312500 0.4062500 0.0000000), wk = 0.0058594 k( 90) = ( 0.0312500 0.4218750 0.0000000), wk = 0.0058594 k( 91) = ( 0.0312500 0.4375000 0.0000000), wk = 0.0058594 k( 92) = ( 0.0312500 0.4531250 0.0000000), wk = 0.0058594 k( 93) = ( 0.0312500 0.4687500 0.0000000), wk = 0.0058594 k( 94) = ( 0.0312500 0.4843750 0.0000000), wk = 0.0029297 k( 95) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0029297 k( 96) = ( 0.0468750 0.0625000 0.0000000), wk = 0.0058594 k( 97) = ( 0.0468750 0.0781250 0.0000000), wk = 0.0058594 k( 98) = ( 0.0468750 0.0937500 0.0000000), wk = 0.0058594 k( 99) = ( 0.0468750 0.1093750 0.0000000), wk = 0.0058594 k( 100) = ( 0.0468750 0.1250000 0.0000000), wk = 0.0058594 k( 101) = ( 0.0468750 0.1406250 0.0000000), wk = 0.0058594 k( 102) = ( 0.0468750 0.1562500 0.0000000), wk = 0.0058594 k( 103) = ( 0.0468750 0.1718750 0.0000000), wk = 0.0058594 k( 104) = ( 0.0468750 0.1875000 0.0000000), wk = 0.0058594 k( 105) = ( 0.0468750 0.2031250 0.0000000), wk = 0.0058594 k( 106) = ( 0.0468750 0.2187500 0.0000000), wk = 0.0058594 k( 107) = ( 0.0468750 0.2343750 0.0000000), wk = 0.0058594 k( 108) = ( 0.0468750 0.2500000 0.0000000), wk = 0.0058594 k( 109) = ( 0.0468750 0.2656250 0.0000000), wk = 0.0058594 k( 110) = ( 0.0468750 0.2812500 0.0000000), wk = 0.0058594 k( 111) = ( 0.0468750 0.2968750 0.0000000), wk = 0.0058594 k( 112) = ( 0.0468750 0.3125000 0.0000000), wk = 0.0058594 k( 113) = ( 0.0468750 0.3281250 0.0000000), wk = 0.0058594 k( 114) = ( 0.0468750 0.3437500 0.0000000), wk = 0.0058594 k( 115) = ( 0.0468750 0.3593750 0.0000000), wk = 0.0058594 k( 116) = ( 0.0468750 0.3750000 0.0000000), wk = 0.0058594 k( 117) = ( 0.0468750 0.3906250 0.0000000), wk = 0.0058594 k( 118) = ( 0.0468750 0.4062500 0.0000000), wk = 0.0058594 k( 119) = ( 0.0468750 0.4218750 0.0000000), wk = 0.0058594 k( 120) = ( 0.0468750 0.4375000 0.0000000), wk = 0.0058594 k( 121) = ( 0.0468750 0.4531250 0.0000000), wk = 0.0058594 k( 122) = ( 0.0468750 0.4687500 0.0000000), wk = 0.0058594 k( 123) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0029297 k( 124) = ( 0.0625000 0.0781250 0.0000000), wk = 0.0058594 k( 125) = ( 0.0625000 0.0937500 0.0000000), wk = 0.0058594 k( 126) = ( 0.0625000 0.1093750 0.0000000), wk = 0.0058594 k( 127) = ( 0.0625000 0.1250000 0.0000000), wk = 0.0058594 k( 128) = ( 0.0625000 0.1406250 0.0000000), wk = 0.0058594 k( 129) = ( 0.0625000 0.1562500 0.0000000), wk = 0.0058594 k( 130) = ( 0.0625000 0.1718750 0.0000000), wk = 0.0058594 k( 131) = ( 0.0625000 0.1875000 0.0000000), wk = 0.0058594 k( 132) = ( 0.0625000 0.2031250 0.0000000), wk = 0.0058594 k( 133) = ( 0.0625000 0.2187500 0.0000000), wk = 0.0058594 k( 134) = ( 0.0625000 0.2343750 0.0000000), wk = 0.0058594 k( 135) = ( 0.0625000 0.2500000 0.0000000), wk = 0.0058594 k( 136) = ( 0.0625000 0.2656250 0.0000000), wk = 0.0058594 k( 137) = ( 0.0625000 0.2812500 0.0000000), wk = 0.0058594 k( 138) = ( 0.0625000 0.2968750 0.0000000), wk = 0.0058594 k( 139) = ( 0.0625000 0.3125000 0.0000000), wk = 0.0058594 k( 140) = ( 0.0625000 0.3281250 0.0000000), wk = 0.0058594 k( 141) = ( 0.0625000 0.3437500 0.0000000), wk = 0.0058594 k( 142) = ( 0.0625000 0.3593750 0.0000000), wk = 0.0058594 k( 143) = ( 0.0625000 0.3750000 0.0000000), wk = 0.0058594 k( 144) = ( 0.0625000 0.3906250 0.0000000), wk = 0.0058594 k( 145) = ( 0.0625000 0.4062500 0.0000000), wk = 0.0058594 k( 146) = ( 0.0625000 0.4218750 0.0000000), wk = 0.0058594 k( 147) = ( 0.0625000 0.4375000 0.0000000), wk = 0.0058594 k( 148) = ( 0.0625000 0.4531250 0.0000000), wk = 0.0058594 k( 149) = ( 0.0625000 0.4687500 0.0000000), wk = 0.0029297 k( 150) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0029297 k( 151) = ( 0.0781250 0.0937500 0.0000000), wk = 0.0058594 k( 152) = ( 0.0781250 0.1093750 0.0000000), wk = 0.0058594 k( 153) = ( 0.0781250 0.1250000 0.0000000), wk = 0.0058594 k( 154) = ( 0.0781250 0.1406250 0.0000000), wk = 0.0058594 k( 155) = ( 0.0781250 0.1562500 0.0000000), wk = 0.0058594 k( 156) = ( 0.0781250 0.1718750 0.0000000), wk = 0.0058594 k( 157) = ( 0.0781250 0.1875000 0.0000000), wk = 0.0058594 k( 158) = ( 0.0781250 0.2031250 0.0000000), wk = 0.0058594 k( 159) = ( 0.0781250 0.2187500 0.0000000), wk = 0.0058594 k( 160) = ( 0.0781250 0.2343750 0.0000000), wk = 0.0058594 k( 161) = ( 0.0781250 0.2500000 0.0000000), wk = 0.0058594 k( 162) = ( 0.0781250 0.2656250 0.0000000), wk = 0.0058594 k( 163) = ( 0.0781250 0.2812500 0.0000000), wk = 0.0058594 k( 164) = ( 0.0781250 0.2968750 0.0000000), wk = 0.0058594 k( 165) = ( 0.0781250 0.3125000 0.0000000), wk = 0.0058594 k( 166) = ( 0.0781250 0.3281250 0.0000000), wk = 0.0058594 k( 167) = ( 0.0781250 0.3437500 0.0000000), wk = 0.0058594 k( 168) = ( 0.0781250 0.3593750 0.0000000), wk = 0.0058594 k( 169) = ( 0.0781250 0.3750000 0.0000000), wk = 0.0058594 k( 170) = ( 0.0781250 0.3906250 0.0000000), wk = 0.0058594 k( 171) = ( 0.0781250 0.4062500 0.0000000), wk = 0.0058594 k( 172) = ( 0.0781250 0.4218750 0.0000000), wk = 0.0058594 k( 173) = ( 0.0781250 0.4375000 0.0000000), wk = 0.0058594 k( 174) = ( 0.0781250 0.4531250 0.0000000), wk = 0.0058594 k( 175) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0029297 k( 176) = ( 0.0937500 0.1093750 0.0000000), wk = 0.0058594 k( 177) = ( 0.0937500 0.1250000 0.0000000), wk = 0.0058594 k( 178) = ( 0.0937500 0.1406250 0.0000000), wk = 0.0058594 k( 179) = ( 0.0937500 0.1562500 0.0000000), wk = 0.0058594 k( 180) = ( 0.0937500 0.1718750 0.0000000), wk = 0.0058594 k( 181) = ( 0.0937500 0.1875000 0.0000000), wk = 0.0058594 k( 182) = ( 0.0937500 0.2031250 0.0000000), wk = 0.0058594 k( 183) = ( 0.0937500 0.2187500 0.0000000), wk = 0.0058594 k( 184) = ( 0.0937500 0.2343750 0.0000000), wk = 0.0058594 k( 185) = ( 0.0937500 0.2500000 0.0000000), wk = 0.0058594 k( 186) = ( 0.0937500 0.2656250 0.0000000), wk = 0.0058594 k( 187) = ( 0.0937500 0.2812500 0.0000000), wk = 0.0058594 k( 188) = ( 0.0937500 0.2968750 0.0000000), wk = 0.0058594 k( 189) = ( 0.0937500 0.3125000 0.0000000), wk = 0.0058594 k( 190) = ( 0.0937500 0.3281250 0.0000000), wk = 0.0058594 k( 191) = ( 0.0937500 0.3437500 0.0000000), wk = 0.0058594 k( 192) = ( 0.0937500 0.3593750 0.0000000), wk = 0.0058594 k( 193) = ( 0.0937500 0.3750000 0.0000000), wk = 0.0058594 k( 194) = ( 0.0937500 0.3906250 0.0000000), wk = 0.0058594 k( 195) = ( 0.0937500 0.4062500 0.0000000), wk = 0.0058594 k( 196) = ( 0.0937500 0.4218750 0.0000000), wk = 0.0058594 k( 197) = ( 0.0937500 0.4375000 0.0000000), wk = 0.0058594 k( 198) = ( 0.0937500 0.4531250 0.0000000), wk = 0.0029297 k( 199) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0029297 k( 200) = ( 0.1093750 0.1250000 0.0000000), wk = 0.0058594 k( 201) = ( 0.1093750 0.1406250 0.0000000), wk = 0.0058594 k( 202) = ( 0.1093750 0.1562500 0.0000000), wk = 0.0058594 k( 203) = ( 0.1093750 0.1718750 0.0000000), wk = 0.0058594 k( 204) = ( 0.1093750 0.1875000 0.0000000), wk = 0.0058594 k( 205) = ( 0.1093750 0.2031250 0.0000000), wk = 0.0058594 k( 206) = ( 0.1093750 0.2187500 0.0000000), wk = 0.0058594 k( 207) = ( 0.1093750 0.2343750 0.0000000), wk = 0.0058594 k( 208) = ( 0.1093750 0.2500000 0.0000000), wk = 0.0058594 k( 209) = ( 0.1093750 0.2656250 0.0000000), wk = 0.0058594 k( 210) = ( 0.1093750 0.2812500 0.0000000), wk = 0.0058594 k( 211) = ( 0.1093750 0.2968750 0.0000000), wk = 0.0058594 k( 212) = ( 0.1093750 0.3125000 0.0000000), wk = 0.0058594 k( 213) = ( 0.1093750 0.3281250 0.0000000), wk = 0.0058594 k( 214) = ( 0.1093750 0.3437500 0.0000000), wk = 0.0058594 k( 215) = ( 0.1093750 0.3593750 0.0000000), wk = 0.0058594 k( 216) = ( 0.1093750 0.3750000 0.0000000), wk = 0.0058594 k( 217) = ( 0.1093750 0.3906250 0.0000000), wk = 0.0058594 k( 218) = ( 0.1093750 0.4062500 0.0000000), wk = 0.0058594 k( 219) = ( 0.1093750 0.4218750 0.0000000), wk = 0.0058594 k( 220) = ( 0.1093750 0.4375000 0.0000000), wk = 0.0058594 k( 221) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0029297 k( 222) = ( 0.1250000 0.1406250 0.0000000), wk = 0.0058594 k( 223) = ( 0.1250000 0.1562500 0.0000000), wk = 0.0058594 k( 224) = ( 0.1250000 0.1718750 0.0000000), wk = 0.0058594 k( 225) = ( 0.1250000 0.1875000 0.0000000), wk = 0.0058594 k( 226) = ( 0.1250000 0.2031250 0.0000000), wk = 0.0058594 k( 227) = ( 0.1250000 0.2187500 0.0000000), wk = 0.0058594 k( 228) = ( 0.1250000 0.2343750 0.0000000), wk = 0.0058594 k( 229) = ( 0.1250000 0.2500000 0.0000000), wk = 0.0058594 k( 230) = ( 0.1250000 0.2656250 0.0000000), wk = 0.0058594 k( 231) = ( 0.1250000 0.2812500 0.0000000), wk = 0.0058594 k( 232) = ( 0.1250000 0.2968750 0.0000000), wk = 0.0058594 k( 233) = ( 0.1250000 0.3125000 0.0000000), wk = 0.0058594 k( 234) = ( 0.1250000 0.3281250 0.0000000), wk = 0.0058594 k( 235) = ( 0.1250000 0.3437500 0.0000000), wk = 0.0058594 k( 236) = ( 0.1250000 0.3593750 0.0000000), wk = 0.0058594 k( 237) = ( 0.1250000 0.3750000 0.0000000), wk = 0.0058594 k( 238) = ( 0.1250000 0.3906250 0.0000000), wk = 0.0058594 k( 239) = ( 0.1250000 0.4062500 0.0000000), wk = 0.0058594 k( 240) = ( 0.1250000 0.4218750 0.0000000), wk = 0.0058594 k( 241) = ( 0.1250000 0.4375000 0.0000000), wk = 0.0029297 k( 242) = ( 0.1406250 0.1406250 0.0000000), wk = 0.0029297 k( 243) = ( 0.1406250 0.1562500 0.0000000), wk = 0.0058594 k( 244) = ( 0.1406250 0.1718750 0.0000000), wk = 0.0058594 k( 245) = ( 0.1406250 0.1875000 0.0000000), wk = 0.0058594 k( 246) = ( 0.1406250 0.2031250 0.0000000), wk = 0.0058594 k( 247) = ( 0.1406250 0.2187500 0.0000000), wk = 0.0058594 k( 248) = ( 0.1406250 0.2343750 0.0000000), wk = 0.0058594 k( 249) = ( 0.1406250 0.2500000 0.0000000), wk = 0.0058594 k( 250) = ( 0.1406250 0.2656250 0.0000000), wk = 0.0058594 k( 251) = ( 0.1406250 0.2812500 0.0000000), wk = 0.0058594 k( 252) = ( 0.1406250 0.2968750 0.0000000), wk = 0.0058594 k( 253) = ( 0.1406250 0.3125000 0.0000000), wk = 0.0058594 k( 254) = ( 0.1406250 0.3281250 0.0000000), wk = 0.0058594 k( 255) = ( 0.1406250 0.3437500 0.0000000), wk = 0.0058594 k( 256) = ( 0.1406250 0.3593750 0.0000000), wk = 0.0058594 k( 257) = ( 0.1406250 0.3750000 0.0000000), wk = 0.0058594 k( 258) = ( 0.1406250 0.3906250 0.0000000), wk = 0.0058594 k( 259) = ( 0.1406250 0.4062500 0.0000000), wk = 0.0058594 k( 260) = ( 0.1406250 0.4218750 0.0000000), wk = 0.0058594 k( 261) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0029297 k( 262) = ( 0.1562500 0.1718750 0.0000000), wk = 0.0058594 k( 263) = ( 0.1562500 0.1875000 0.0000000), wk = 0.0058594 k( 264) = ( 0.1562500 0.2031250 0.0000000), wk = 0.0058594 k( 265) = ( 0.1562500 0.2187500 0.0000000), wk = 0.0058594 k( 266) = ( 0.1562500 0.2343750 0.0000000), wk = 0.0058594 k( 267) = ( 0.1562500 0.2500000 0.0000000), wk = 0.0058594 k( 268) = ( 0.1562500 0.2656250 0.0000000), wk = 0.0058594 k( 269) = ( 0.1562500 0.2812500 0.0000000), wk = 0.0058594 k( 270) = ( 0.1562500 0.2968750 0.0000000), wk = 0.0058594 k( 271) = ( 0.1562500 0.3125000 0.0000000), wk = 0.0058594 k( 272) = ( 0.1562500 0.3281250 0.0000000), wk = 0.0058594 k( 273) = ( 0.1562500 0.3437500 0.0000000), wk = 0.0058594 k( 274) = ( 0.1562500 0.3593750 0.0000000), wk = 0.0058594 k( 275) = ( 0.1562500 0.3750000 0.0000000), wk = 0.0058594 k( 276) = ( 0.1562500 0.3906250 0.0000000), wk = 0.0058594 k( 277) = ( 0.1562500 0.4062500 0.0000000), wk = 0.0058594 k( 278) = ( 0.1562500 0.4218750 0.0000000), wk = 0.0029297 k( 279) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0029297 k( 280) = ( 0.1718750 0.1875000 0.0000000), wk = 0.0058594 k( 281) = ( 0.1718750 0.2031250 0.0000000), wk = 0.0058594 k( 282) = ( 0.1718750 0.2187500 0.0000000), wk = 0.0058594 k( 283) = ( 0.1718750 0.2343750 0.0000000), wk = 0.0058594 k( 284) = ( 0.1718750 0.2500000 0.0000000), wk = 0.0058594 k( 285) = ( 0.1718750 0.2656250 0.0000000), wk = 0.0058594 k( 286) = ( 0.1718750 0.2812500 0.0000000), wk = 0.0058594 k( 287) = ( 0.1718750 0.2968750 0.0000000), wk = 0.0058594 k( 288) = ( 0.1718750 0.3125000 0.0000000), wk = 0.0058594 k( 289) = ( 0.1718750 0.3281250 0.0000000), wk = 0.0058594 k( 290) = ( 0.1718750 0.3437500 0.0000000), wk = 0.0058594 k( 291) = ( 0.1718750 0.3593750 0.0000000), wk = 0.0058594 k( 292) = ( 0.1718750 0.3750000 0.0000000), wk = 0.0058594 k( 293) = ( 0.1718750 0.3906250 0.0000000), wk = 0.0058594 k( 294) = ( 0.1718750 0.4062500 0.0000000), wk = 0.0058594 k( 295) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0029297 k( 296) = ( 0.1875000 0.2031250 0.0000000), wk = 0.0058594 k( 297) = ( 0.1875000 0.2187500 0.0000000), wk = 0.0058594 k( 298) = ( 0.1875000 0.2343750 0.0000000), wk = 0.0058594 k( 299) = ( 0.1875000 0.2500000 0.0000000), wk = 0.0058594 k( 300) = ( 0.1875000 0.2656250 0.0000000), wk = 0.0058594 k( 301) = ( 0.1875000 0.2812500 0.0000000), wk = 0.0058594 k( 302) = ( 0.1875000 0.2968750 0.0000000), wk = 0.0058594 k( 303) = ( 0.1875000 0.3125000 0.0000000), wk = 0.0058594 k( 304) = ( 0.1875000 0.3281250 0.0000000), wk = 0.0058594 k( 305) = ( 0.1875000 0.3437500 0.0000000), wk = 0.0058594 k( 306) = ( 0.1875000 0.3593750 0.0000000), wk = 0.0058594 k( 307) = ( 0.1875000 0.3750000 0.0000000), wk = 0.0058594 k( 308) = ( 0.1875000 0.3906250 0.0000000), wk = 0.0058594 k( 309) = ( 0.1875000 0.4062500 0.0000000), wk = 0.0029297 k( 310) = ( 0.2031250 0.2031250 0.0000000), wk = 0.0029297 k( 311) = ( 0.2031250 0.2187500 0.0000000), wk = 0.0058594 k( 312) = ( 0.2031250 0.2343750 0.0000000), wk = 0.0058594 k( 313) = ( 0.2031250 0.2500000 0.0000000), wk = 0.0058594 k( 314) = ( 0.2031250 0.2656250 0.0000000), wk = 0.0058594 k( 315) = ( 0.2031250 0.2812500 0.0000000), wk = 0.0058594 k( 316) = ( 0.2031250 0.2968750 0.0000000), wk = 0.0058594 k( 317) = ( 0.2031250 0.3125000 0.0000000), wk = 0.0058594 k( 318) = ( 0.2031250 0.3281250 0.0000000), wk = 0.0058594 k( 319) = ( 0.2031250 0.3437500 0.0000000), wk = 0.0058594 k( 320) = ( 0.2031250 0.3593750 0.0000000), wk = 0.0058594 k( 321) = ( 0.2031250 0.3750000 0.0000000), wk = 0.0058594 k( 322) = ( 0.2031250 0.3906250 0.0000000), wk = 0.0058594 k( 323) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0029297 k( 324) = ( 0.2187500 0.2343750 0.0000000), wk = 0.0058594 k( 325) = ( 0.2187500 0.2500000 0.0000000), wk = 0.0058594 k( 326) = ( 0.2187500 0.2656250 0.0000000), wk = 0.0058594 k( 327) = ( 0.2187500 0.2812500 0.0000000), wk = 0.0058594 k( 328) = ( 0.2187500 0.2968750 0.0000000), wk = 0.0058594 k( 329) = ( 0.2187500 0.3125000 0.0000000), wk = 0.0058594 k( 330) = ( 0.2187500 0.3281250 0.0000000), wk = 0.0058594 k( 331) = ( 0.2187500 0.3437500 0.0000000), wk = 0.0058594 k( 332) = ( 0.2187500 0.3593750 0.0000000), wk = 0.0058594 k( 333) = ( 0.2187500 0.3750000 0.0000000), wk = 0.0058594 k( 334) = ( 0.2187500 0.3906250 0.0000000), wk = 0.0029297 k( 335) = ( 0.2343750 0.2343750 0.0000000), wk = 0.0029297 k( 336) = ( 0.2343750 0.2500000 0.0000000), wk = 0.0058594 k( 337) = ( 0.2343750 0.2656250 0.0000000), wk = 0.0058594 k( 338) = ( 0.2343750 0.2812500 0.0000000), wk = 0.0058594 k( 339) = ( 0.2343750 0.2968750 0.0000000), wk = 0.0058594 k( 340) = ( 0.2343750 0.3125000 0.0000000), wk = 0.0058594 k( 341) = ( 0.2343750 0.3281250 0.0000000), wk = 0.0058594 k( 342) = ( 0.2343750 0.3437500 0.0000000), wk = 0.0058594 k( 343) = ( 0.2343750 0.3593750 0.0000000), wk = 0.0058594 k( 344) = ( 0.2343750 0.3750000 0.0000000), wk = 0.0058594 k( 345) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029297 k( 346) = ( 0.2500000 0.2656250 0.0000000), wk = 0.0058594 k( 347) = ( 0.2500000 0.2812500 0.0000000), wk = 0.0058594 k( 348) = ( 0.2500000 0.2968750 0.0000000), wk = 0.0058594 k( 349) = ( 0.2500000 0.3125000 0.0000000), wk = 0.0058594 k( 350) = ( 0.2500000 0.3281250 0.0000000), wk = 0.0058594 k( 351) = ( 0.2500000 0.3437500 0.0000000), wk = 0.0058594 k( 352) = ( 0.2500000 0.3593750 0.0000000), wk = 0.0058594 k( 353) = ( 0.2500000 0.3750000 0.0000000), wk = 0.0029297 k( 354) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0029297 k( 355) = ( 0.2656250 0.2812500 0.0000000), wk = 0.0058594 k( 356) = ( 0.2656250 0.2968750 0.0000000), wk = 0.0058594 k( 357) = ( 0.2656250 0.3125000 0.0000000), wk = 0.0058594 k( 358) = ( 0.2656250 0.3281250 0.0000000), wk = 0.0058594 k( 359) = ( 0.2656250 0.3437500 0.0000000), wk = 0.0058594 k( 360) = ( 0.2656250 0.3593750 0.0000000), wk = 0.0058594 k( 361) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0029297 k( 362) = ( 0.2812500 0.2968750 0.0000000), wk = 0.0058594 k( 363) = ( 0.2812500 0.3125000 0.0000000), wk = 0.0058594 k( 364) = ( 0.2812500 0.3281250 0.0000000), wk = 0.0058594 k( 365) = ( 0.2812500 0.3437500 0.0000000), wk = 0.0058594 k( 366) = ( 0.2812500 0.3593750 0.0000000), wk = 0.0029297 k( 367) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0029297 k( 368) = ( 0.2968750 0.3125000 0.0000000), wk = 0.0058594 k( 369) = ( 0.2968750 0.3281250 0.0000000), wk = 0.0058594 k( 370) = ( 0.2968750 0.3437500 0.0000000), wk = 0.0058594 k( 371) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0029297 k( 372) = ( 0.3125000 0.3281250 0.0000000), wk = 0.0058594 k( 373) = ( 0.3125000 0.3437500 0.0000000), wk = 0.0029297 k( 374) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0029297 Dense grid: 1800391 G-vectors FFT dimensions: ( 75, 75, 750) Smooth grid: 636455 G-vectors FFT dimensions: ( 54, 54, 540) Dynamical RAM for wfc: 1.63 MB Dynamical RAM for wfc (w. buffer): 611.43 MB Dynamical RAM for str. fact: 3.43 MB Dynamical RAM for local pot: 0.00 MB Dynamical RAM for nlocal pot: 3.72 MB Dynamical RAM for qrad: 9.94 MB Dynamical RAM for rho,v,vnew: 5.66 MB Dynamical RAM for rhoin: 1.89 MB Dynamical RAM for rho*nmix: 13.73 MB Dynamical RAM for G-vectors: 3.37 MB Dynamical RAM for h,s,v(r/c): 0.34 MB Dynamical RAM for : 0.06 MB Dynamical RAM for psi: 3.26 MB Dynamical RAM for hpsi: 3.26 MB Dynamical RAM for spsi: 3.26 MB Dynamical RAM for wfcinit/wfcrot: 3.62 MB Dynamical RAM for addusdens: 161.37 MB Dynamical RAM for addusforce: 163.52 MB Dynamical RAM for addusstress: 172.53 MB Estimated static dynamical RAM per process > 648.88 MB Estimated max dynamical RAM per process > 835.15 MB Estimated total dynamical RAM > 26.10 GB Initial potential from superposition of free atoms starting charge 70.9833, renormalised to 71.0000 negative rho (up, down): 8.156E-04 0.000E+00 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % % % You are using vdW-DF, which was implemented by the Thonhauser group. % % Please cite the following two papers that made this development % % possible and the two reviews that describe the various versions: % % % % T. Thonhauser et al., PRL 115, 136402 (2015). % % T. Thonhauser et al., PRB 76, 125112 (2007). % % K. Berland et al., Rep. Prog. Phys. 78, 066501 (2015). % % D.C. Langreth et al., J. Phys.: Condens. Matter 21, 084203 (2009). % % % % If you are calculating stress with vdW-DF, please also cite: % % % % R. Sabatini et al., J. Phys.: Condens. Matter 24, 424209 (2012). % % % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % % % vdW-DF NEWS: % % % % * vdW-DF3 is now available. DOI: 10.1021/acs.jctc.0c00471 % % use with input_dft = 'vdW-DF3-opt1' or 'vdW-DF3-opt2' % % % % * Unscreened and range-separated vdW-DF hybrid functionals % % DOI: 10.1063/1.4986522 and 10.1088/1361-648X/ac2ad2 % % use with input_dft = 'vdW-DF-cx0' (etc) and 'vdW-DF-ahcx' % % % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Carrying out vdW-DF run using the following parameters: Nqs = 20 Npoints = 1024 r_max = 100.000 q_mesh = 0.00001000 0.04494208 0.09755937 0.15916263 0.23128650 0.31572767 0.41458969 0.53033537 0.66584808 0.82450364 1.01025438 1.22772762 1.48234092 1.78043706 2.12944203 2.53805004 3.01644009 3.57652955 4.23227104 5.00000000 ----------------------------------------------- Non-local corr. energy = 1.44654544 Ry ----------------------------------------------- Starting wfcs are 47 randomized atomic wfcs Checking if some PAW data can be deallocated... PAW data deallocated on 20 nodes for type: 1 PAW data deallocated on 27 nodes for type: 2 PAW data deallocated on 27 nodes for type: 3 PAW data deallocated on 22 nodes for type: 4 total cpu time spent up to now is 39.4 secs Self-consistent Calculation iteration # 1 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 800 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 53432 MiB available memory on the node where the printing process lives ------------------ ethr = 1.00E-02, avg # of iterations = 7.6 negative rho (up, down): 3.584E-04 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46228787 Ry ----------------------------------------------- total cpu time spent up to now is 159.0 secs total energy = -1783.36431962 Ry estimated scf accuracy < 2.46648360 Ry iteration # 2 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1009 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51942 MiB available memory on the node where the printing process lives ------------------ ethr = 3.47E-03, avg # of iterations = 7.5 negative rho (up, down): 1.417E-04 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46044112 Ry ----------------------------------------------- total cpu time spent up to now is 284.4 secs total energy = -1779.42710224 Ry estimated scf accuracy < 97.72930498 Ry iteration # 3 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1012 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51907 MiB available memory on the node where the printing process lives ------------------ ethr = 3.47E-03, avg # of iterations = 8.6 negative rho (up, down): 2.712E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.45598604 Ry ----------------------------------------------- total cpu time spent up to now is 421.3 secs total energy = -1782.09123134 Ry estimated scf accuracy < 88.31402898 Ry iteration # 4 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1013 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51891 MiB available memory on the node where the printing process lives ------------------ ethr = 3.47E-03, avg # of iterations = 5.6 negative rho (up, down): 1.113E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.45621718 Ry ----------------------------------------------- total cpu time spent up to now is 526.1 secs total energy = -1784.39535451 Ry estimated scf accuracy < 0.89990472 Ry iteration # 5 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1016 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51868 MiB available memory on the node where the printing process lives ------------------ ethr = 1.27E-03, avg # of iterations = 2.6 negative rho (up, down): 5.447E-06 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.45816531 Ry ----------------------------------------------- total cpu time spent up to now is 615.3 secs total energy = -1784.42377454 Ry estimated scf accuracy < 0.32003082 Ry iteration # 6 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1018 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51841 MiB available memory on the node where the printing process lives ------------------ ethr = 4.51E-04, avg # of iterations = 2.3 negative rho (up, down): 9.529E-06 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46394397 Ry ----------------------------------------------- total cpu time spent up to now is 701.7 secs total energy = -1784.36738650 Ry estimated scf accuracy < 0.24745485 Ry iteration # 7 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1020 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51820 MiB available memory on the node where the printing process lives ------------------ ethr = 3.49E-04, avg # of iterations = 6.6 negative rho (up, down): 1.103E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46421234 Ry ----------------------------------------------- total cpu time spent up to now is 807.3 secs total energy = -1784.37893186 Ry estimated scf accuracy < 0.02044404 Ry iteration # 8 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1021 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51792 MiB available memory on the node where the printing process lives ------------------ ethr = 2.88E-05, avg # of iterations = 9.1 negative rho (up, down): 1.714E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46541178 Ry ----------------------------------------------- total cpu time spent up to now is 932.4 secs total energy = -1784.37897806 Ry estimated scf accuracy < 0.00810296 Ry iteration # 9 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1023 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51770 MiB available memory on the node where the printing process lives ------------------ ethr = 1.14E-05, avg # of iterations = 6.2 negative rho (up, down): 2.355E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46650324 Ry ----------------------------------------------- total cpu time spent up to now is 1036.6 secs total energy = -1784.37904764 Ry estimated scf accuracy < 0.00500611 Ry iteration # 10 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1025 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51751 MiB available memory on the node where the printing process lives ------------------ ethr = 7.05E-06, avg # of iterations = 4.8 negative rho (up, down): 3.526E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46669782 Ry ----------------------------------------------- total cpu time spent up to now is 1134.9 secs total energy = -1784.37919940 Ry estimated scf accuracy < 0.00100608 Ry iteration # 11 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1025 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51748 MiB available memory on the node where the printing process lives ------------------ ethr = 1.42E-06, avg # of iterations = 7.5 negative rho (up, down): 3.219E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46668854 Ry ----------------------------------------------- total cpu time spent up to now is 1246.4 secs total energy = -1784.37923997 Ry estimated scf accuracy < 0.00007547 Ry iteration # 12 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1025 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51746 MiB available memory on the node where the printing process lives ------------------ ethr = 1.06E-07, avg # of iterations = 2.6 negative rho (up, down): 3.534E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46673117 Ry ----------------------------------------------- total cpu time spent up to now is 1336.5 secs total energy = -1784.37924231 Ry estimated scf accuracy < 0.00003981 Ry iteration # 13 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1026 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51744 MiB available memory on the node where the printing process lives ------------------ ethr = 5.61E-08, avg # of iterations = 2.0 negative rho (up, down): 3.344E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46674169 Ry ----------------------------------------------- total cpu time spent up to now is 1424.0 secs total energy = -1784.37924488 Ry estimated scf accuracy < 0.00001845 Ry iteration # 14 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1026 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51714 MiB available memory on the node where the printing process lives ------------------ ethr = 2.60E-08, avg # of iterations = 1.5 negative rho (up, down): 3.567E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46674750 Ry ----------------------------------------------- total cpu time spent up to now is 1506.9 secs total energy = -1784.37924622 Ry estimated scf accuracy < 0.00000265 Ry iteration # 15 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1027 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51713 MiB available memory on the node where the printing process lives ------------------ ethr = 3.74E-09, avg # of iterations = 2.1 negative rho (up, down): 3.724E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46675204 Ry ----------------------------------------------- total cpu time spent up to now is 1594.2 secs total energy = -1784.37924630 Ry estimated scf accuracy < 0.00000004 Ry iteration # 16 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1027 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51712 MiB available memory on the node where the printing process lives ------------------ ethr = 6.29E-11, avg # of iterations = 5.1 negative rho (up, down): 3.705E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46675140 Ry ----------------------------------------------- total cpu time spent up to now is 1702.8 secs total energy = -1784.37924632 Ry estimated scf accuracy < 0.00000002 Ry iteration # 17 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1028 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51713 MiB available memory on the node where the printing process lives ------------------ ethr = 3.29E-11, avg # of iterations = 2.0 negative rho (up, down): 3.711E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46675148 Ry ----------------------------------------------- total cpu time spent up to now is 1790.7 secs total energy = -1784.37924632 Ry estimated scf accuracy < 1.1E-09 Ry iteration # 18 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1028 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51712 MiB available memory on the node where the printing process lives ------------------ ethr = 1.60E-12, avg # of iterations = 4.6 negative rho (up, down): 3.716E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46675137 Ry ----------------------------------------------- total cpu time spent up to now is 1897.1 secs total energy = -1784.37924631 Ry estimated scf accuracy < 9.4E-10 Ry iteration # 19 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1028 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51709 MiB available memory on the node where the printing process lives ------------------ ethr = 1.33E-12, avg # of iterations = 3.0 negative rho (up, down): 3.715E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46675133 Ry ----------------------------------------------- total cpu time spent up to now is 1989.7 secs total energy = -1784.37924631 Ry estimated scf accuracy < 5.6E-11 Ry iteration # 20 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1028 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51710 MiB available memory on the node where the printing process lives ------------------ ethr = 1.00E-13, avg # of iterations = 4.4 negative rho (up, down): 3.712E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46675131 Ry ----------------------------------------------- total cpu time spent up to now is 2094.9 secs total energy = -1784.37924631 Ry estimated scf accuracy < 1.0E-10 Ry iteration # 21 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1029 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51706 MiB available memory on the node where the printing process lives ------------------ ethr = 1.00E-13, avg # of iterations = 3.0 negative rho (up, down): 3.710E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46675128 Ry ----------------------------------------------- total cpu time spent up to now is 2187.7 secs total energy = -1784.37924631 Ry estimated scf accuracy < 2.3E-12 Ry iteration # 22 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1029 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51688 MiB available memory on the node where the printing process lives ------------------ ethr = 1.00E-13, avg # of iterations = 1.3 negative rho (up, down): 3.710E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46675127 Ry ----------------------------------------------- total cpu time spent up to now is 2268.8 secs total energy = -1784.37924631 Ry estimated scf accuracy < 2.0E-12 Ry iteration # 23 ecut= 120.00 Ry beta= 0.40 Davidson diagonalization with overlap ---- Real-time Memory Report at c_bands before calling an iterative solver 1029 MiB given to the printing process from OS 0 MiB allocation reported by mallinfo(arena+hblkhd) 51686 MiB available memory on the node where the printing process lives ------------------ ethr = 1.00E-13, avg # of iterations = 1.0 negative rho (up, down): 3.709E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46675124 Ry ----------------------------------------------- total cpu time spent up to now is 2348.0 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 79445 PWs) bands (ev): -47.9352 -47.9352 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2053 -35.0041 -22.1806 -22.1806 -22.1639 -22.1475 -22.1475 -17.7701 -17.0728 -17.0728 -17.0697 -16.9092 -16.9092 -14.4742 -13.4711 -11.8127 -7.2447 -3.3716 -2.4308 -2.0131 -2.0131 -1.7758 -1.7758 -1.4986 -1.4986 -0.9178 -0.2962 1.3827 1.8585 2.7258 2.8183 2.8183 3.0863 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0501 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0180 0.0000 ( 79441 PWs) bands (ev): -47.9352 -47.9352 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2052 -35.0041 -22.1807 -22.1805 -22.1638 -22.1476 -22.1475 -17.7697 -17.0818 -17.0732 -17.0621 -16.9103 -16.9093 -14.4722 -13.4697 -11.8120 -7.2448 -3.3700 -2.4330 -2.0254 -2.0181 -1.7912 -1.7767 -1.5137 -1.4976 -0.9045 -0.2837 1.4004 1.8612 2.7226 2.8112 2.8229 3.0808 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0231 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0361 0.0000 ( 79421 PWs) bands (ev): -47.9352 -47.9352 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2049 -35.0039 -22.1809 -22.1803 -22.1636 -22.1477 -22.1475 -17.7686 -17.0936 -17.0743 -17.0544 -16.9133 -16.9096 -14.4662 -13.4655 -11.8098 -7.2452 -3.3655 -2.4395 -2.0678 -2.0333 -1.8264 -1.7788 -1.5563 -1.4947 -0.8698 -0.2480 1.4514 1.8689 2.7092 2.7950 2.8367 3.0654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0014 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0541 0.0000 ( 79401 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2043 -35.0036 -22.1812 -22.1800 -22.1634 -22.1479 -22.1475 -17.7668 -17.1068 -17.0762 -17.0481 -16.9183 -16.9102 -14.4561 -13.4586 -11.8061 -7.2460 -3.3586 -2.4506 -2.1485 -2.0585 -1.8632 -1.7810 -1.6186 -1.4909 -0.8233 -0.1934 1.5305 1.8814 2.6796 2.7781 2.8592 3.0451 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0722 0.0000 ( 79391 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2036 -35.0032 -22.1818 -22.1795 -22.1630 -22.1482 -22.1474 -17.7643 -17.1215 -17.0789 -17.0432 -16.9249 -16.9109 -14.4422 -13.4491 -11.8011 -7.2473 -3.3502 -2.4678 -2.2609 -2.0933 -1.9016 -1.7823 -1.6865 -1.4874 -0.7723 -0.1267 1.6289 1.8988 2.6388 2.7568 2.8899 3.0305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0902 0.0000 ( 79395 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2027 -35.0026 -22.1824 -22.1789 -22.1625 -22.1486 -22.1473 -17.7612 -17.1377 -17.0822 -17.0397 -16.9327 -16.9118 -14.4243 -13.4369 -11.7948 -7.2493 -3.3421 -2.5013 -2.3811 -2.1366 -1.9586 -1.7821 -1.7401 -1.4849 -0.7200 -0.0554 1.7333 1.9232 2.5981 2.7228 2.9281 3.0333 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1083 0.0000 ( 79359 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2015 -35.0020 -22.1833 -22.1782 -22.1620 -22.1491 -22.1472 -17.7575 -17.1554 -17.0861 -17.0380 -16.9414 -16.9130 -14.4026 -13.4224 -11.7873 -7.2524 -3.3372 -2.5919 -2.4570 -2.1871 -2.0423 -1.7807 -1.7689 -1.4840 -0.6672 0.0132 1.8205 1.9649 2.5625 2.6829 2.9727 3.0576 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1263 0.0000 ( 79365 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7110 -35.2002 -35.0012 -22.1842 -22.1774 -22.1613 -22.1495 -22.1471 -17.7533 -17.1746 -17.0907 -17.0383 -16.9502 -16.9143 -14.3771 -13.4056 -11.7789 -7.2569 -3.3409 -2.7260 -2.4932 -2.2435 -2.1396 -1.7805 -1.7782 -1.4849 -0.6135 0.0723 1.8660 2.0349 2.5193 2.6681 3.0227 3.1005 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1443 0.0000 ( 79409 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1987 -35.0004 -22.1854 -22.1765 -22.1606 -22.1500 -22.1469 -17.7487 -17.1951 -17.0958 -17.0409 -16.9585 -16.9159 -14.3480 -13.3867 -11.7696 -7.2631 -3.3629 -2.8574 -2.5289 -2.3044 -2.2328 -1.7839 -1.7755 -1.4873 -0.5583 0.1164 1.8808 2.1126 2.4566 2.7038 3.0767 3.1584 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1624 0.0000 ( 79437 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1971 -34.9995 -22.1866 -22.1756 -22.1599 -22.1505 -22.1467 -17.7438 -17.2169 -17.1013 -17.0462 -16.9656 -16.9176 -14.3154 -13.3659 -11.7597 -7.2716 -3.4170 -2.9651 -2.5778 -2.3686 -2.3056 -1.7837 -1.7731 -1.4910 -0.5012 0.1416 1.8820 2.1789 2.3872 2.7797 3.1334 3.2292 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1804 0.0000 ( 79453 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1953 -34.9985 -22.1880 -22.1746 -22.1592 -22.1510 -22.1464 -17.7387 -17.2399 -17.1073 -17.0541 -16.9712 -16.9196 -14.2794 -13.3435 -11.7492 -7.2828 -3.5113 -3.0422 -2.6414 -2.4351 -2.3492 -1.7821 -1.7718 -1.4951 -0.4420 0.1455 1.8759 2.2221 2.3341 2.8749 3.1911 3.3108 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9929 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1985 0.0000 ( 79460 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1934 -34.9974 -22.1895 -22.1736 -22.1585 -22.1513 -22.1460 -17.7336 -17.2639 -17.1136 -17.0644 -16.9753 -16.9217 -14.2401 -13.3196 -11.7384 -7.2973 -3.6372 -3.1023 -2.7065 -2.5031 -2.3679 -1.7800 -1.7724 -1.4990 -0.3807 0.1282 1.8626 2.2094 2.3426 2.9707 3.2480 3.4005 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7671 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2165 0.0000 ( 79474 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1914 -34.9963 -22.1911 -22.1727 -22.1581 -22.1514 -22.1455 -17.7285 -17.2886 -17.1203 -17.0763 -16.9782 -16.9240 -14.1978 -13.2946 -11.7273 -7.3156 -3.7793 -3.1655 -2.7570 -2.5716 -2.3700 -1.7776 -1.7755 -1.5019 -0.3173 0.0916 1.8385 2.1721 2.3907 3.0530 3.3025 3.4913 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1469 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2345 0.0000 ( 79472 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1893 -34.9951 -22.1928 -22.1717 -22.1578 -22.1512 -22.1450 -17.7238 -17.3138 -17.1271 -17.0891 -16.9804 -16.9264 -14.1526 -13.2688 -11.7162 -7.3382 -3.9267 -3.2416 -2.7862 -2.6401 -2.3612 -1.7817 -1.7751 -1.5033 -0.2527 0.0393 1.8001 2.1463 2.4464 3.1124 3.3528 3.5463 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0021 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2526 0.0000 ( 79486 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1872 -34.9939 -22.1946 -22.1709 -22.1579 -22.1507 -22.1443 -17.7195 -17.3391 -17.1340 -17.1024 -16.9821 -16.9290 -14.1048 -13.2424 -11.7052 -7.3656 -4.0737 -3.3283 -2.7978 -2.7080 -2.3451 -1.7910 -1.7720 -1.5027 -0.1899 -0.0223 1.7491 2.1351 2.5025 3.1469 3.3979 3.5508 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2706 0.0000 ( 79488 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1850 -34.9927 -22.1965 -22.1700 -22.1582 -22.1499 -22.1436 -17.7158 -17.3644 -17.1411 -17.1156 -16.9837 -16.9317 -14.0546 -13.2159 -11.6943 -7.3980 -4.2169 -3.4192 -2.7983 -2.7745 -2.3241 -1.8034 -1.7679 -1.5000 -0.1555 -0.0630 1.6903 2.1328 2.5549 3.1647 3.4371 3.5549 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2887 0.0000 ( 79518 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1827 -34.9914 -22.1983 -22.1693 -22.1587 -22.1489 -22.1427 -17.7130 -17.3891 -17.1481 -17.1283 -16.9851 -16.9344 -14.0024 -13.1894 -11.6838 -7.4358 -4.3546 -3.5088 -2.8394 -2.7927 -2.3006 -1.8186 -1.7617 -1.4956 -0.2098 -0.0195 1.6285 2.1339 2.5989 3.1797 3.4705 3.5545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3067 0.0000 ( 79552 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1805 -34.9902 -22.2002 -22.1687 -22.1592 -22.1478 -22.1418 -17.7113 -17.4130 -17.1551 -17.1404 -16.9866 -16.9371 -13.9483 -13.1633 -11.6736 -7.4788 -4.4857 -3.5933 -2.9021 -2.7842 -2.2771 -1.8358 -1.7526 -1.4897 -0.2921 0.0504 1.5667 2.1347 2.6293 3.2039 3.4985 3.5469 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0394 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3248 0.0000 ( 79556 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1783 -34.9890 -22.2021 -22.1681 -22.1598 -22.1467 -22.1408 -17.7109 -17.4357 -17.1620 -17.1515 -16.9881 -16.9399 -13.8928 -13.1382 -11.6639 -7.5267 -4.6095 -3.6704 -2.9623 -2.7746 -2.2556 -1.8546 -1.7395 -1.4827 -0.3794 0.1256 1.5068 2.1334 2.6432 3.2438 3.5218 3.5337 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7563 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3428 0.0000 ( 79568 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1761 -34.9878 -22.2040 -22.1677 -22.1604 -22.1456 -22.1397 -17.7118 -17.4568 -17.1687 -17.1616 -16.9898 -16.9427 -13.8363 -13.1141 -11.6546 -7.5792 -4.7257 -3.7384 -3.0196 -2.7653 -2.2381 -1.8743 -1.7218 -1.4751 -0.4672 0.2036 1.4497 2.1296 2.6409 3.2978 3.5198 3.5409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9992 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3608 0.0000 ( 79532 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1740 -34.9866 -22.2058 -22.1673 -22.1610 -22.1444 -22.1386 -17.7144 -17.4761 -17.1751 -17.1704 -16.9915 -16.9454 -13.7792 -13.0917 -11.6459 -7.6353 -4.8343 -3.7967 -3.0737 -2.7570 -2.2253 -1.8944 -1.6993 -1.4672 -0.5534 0.2837 1.3959 2.1237 2.6252 3.3541 3.5157 3.5565 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3789 0.0000 ( 79512 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1720 -34.9855 -22.2075 -22.1670 -22.1616 -22.1433 -22.1375 -17.7184 -17.4934 -17.1813 -17.1780 -16.9934 -16.9480 -13.7219 -13.0711 -11.6378 -7.6941 -4.9351 -3.8447 -3.1244 -2.7507 -2.2172 -1.9143 -1.6724 -1.4593 -0.6363 0.3654 1.3458 2.1162 2.5991 3.3851 3.5460 3.5692 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3969 0.0000 ( 79502 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1700 -34.9844 -22.2092 -22.1667 -22.1621 -22.1423 -22.1364 -17.7239 -17.5086 -17.1871 -17.1843 -16.9953 -16.9505 -13.6650 -13.0528 -11.6302 -7.7543 -5.0282 -3.8828 -3.1713 -2.7471 -2.2132 -1.9337 -1.6422 -1.4517 -0.7150 0.4486 1.2993 2.1081 2.5653 3.3806 3.5793 3.6169 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4150 0.0000 ( 79512 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1682 -34.9834 -22.2108 -22.1665 -22.1627 -22.1413 -22.1353 -17.7305 -17.5217 -17.1925 -17.1895 -16.9972 -16.9529 -13.6091 -13.0371 -11.6233 -7.8146 -5.1134 -3.9113 -3.2144 -2.7468 -2.2118 -1.9522 -1.6103 -1.4444 -0.7885 0.5327 1.2568 2.1000 2.5253 3.3608 3.5873 3.7024 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4330 0.0000 ( 79514 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1665 -34.9825 -22.2122 -22.1664 -22.1631 -22.1403 -22.1342 -17.7380 -17.5327 -17.1975 -17.1935 -16.9992 -16.9551 -13.5549 -13.0241 -11.6170 -7.8735 -5.1906 -3.9311 -3.2535 -2.7501 -2.2118 -1.9695 -1.5780 -1.4378 -0.8560 0.6172 1.2182 2.0923 2.4802 3.3362 3.5934 3.7798 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4511 0.0000 ( 79578 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1650 -34.9817 -22.2136 -22.1663 -22.1636 -22.1395 -22.1333 -17.7458 -17.5420 -17.2019 -17.1964 -17.0011 -16.9571 -13.5029 -13.0141 -11.6114 -7.9297 -5.2596 -3.9434 -3.2882 -2.7571 -2.2119 -1.9853 -1.5467 -1.4317 -0.9171 0.7014 1.1836 2.0854 2.4308 3.3108 3.5980 3.8270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4691 0.0000 ( 79596 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1637 -34.9810 -22.2147 -22.1662 -22.1640 -22.1387 -22.1324 -17.7536 -17.5496 -17.2059 -17.1986 -17.0030 -16.9589 -13.4541 -13.0071 -11.6064 -7.9817 -5.3202 -3.9494 -3.3186 -2.7672 -2.2115 -1.9994 -1.5175 -1.4264 -0.9713 0.7841 1.1532 2.0797 2.3779 3.2866 3.6013 3.8406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4871 0.0000 ( 79576 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1625 -34.9803 -22.2158 -22.1662 -22.1643 -22.1381 -22.1316 -17.7609 -17.5558 -17.2093 -17.2000 -17.0047 -16.9604 -13.4094 -13.0031 -11.6022 -8.0282 -5.3721 -3.9508 -3.3446 -2.7795 -2.2102 -2.0116 -1.4912 -1.4219 -1.0182 0.8636 1.1272 2.0752 2.3230 3.2649 3.6037 3.8379 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5052 0.0000 ( 79590 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1615 -34.9798 -22.2166 -22.1662 -22.1646 -22.1375 -22.1310 -17.7674 -17.5607 -17.2121 -17.2008 -17.0062 -16.9617 -13.3698 -13.0016 -11.5987 -8.0680 -5.4151 -3.9490 -3.3659 -2.7927 -2.2083 -2.0218 -1.4686 -1.4181 -1.0574 0.9373 1.1056 2.0723 2.2682 3.2467 3.6053 3.8302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5232 0.0000 ( 79614 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1608 -34.9794 -22.2173 -22.1661 -22.1648 -22.1371 -22.1305 -17.7728 -17.5644 -17.2143 -17.2013 -17.0074 -16.9627 -13.3365 -13.0022 -11.5959 -8.1000 -5.4488 -3.9456 -3.3826 -2.8052 -2.2060 -2.0298 -1.4502 -1.4152 -1.0887 1.0020 1.0888 2.0714 2.2164 3.2324 3.6063 3.8221 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5413 0.0000 ( 79594 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1602 -34.9791 -22.2178 -22.1661 -22.1649 -22.1368 -22.1301 -17.7768 -17.5670 -17.2159 -17.2016 -17.0083 -16.9635 -13.3111 -13.0039 -11.5939 -8.1235 -5.4730 -3.9420 -3.3945 -2.8155 -2.2040 -2.0356 -1.4366 -1.4131 -1.1115 1.0526 1.0775 2.0733 2.1713 3.2223 3.6069 3.8155 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5593 0.0000 ( 79582 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1599 -34.9789 -22.2180 -22.1661 -22.1650 -22.1366 -22.1299 -17.7792 -17.5686 -17.2169 -17.2017 -17.0089 -16.9639 -13.2950 -13.0055 -11.5927 -8.1379 -5.4876 -3.9393 -3.4017 -2.8222 -2.2025 -2.0392 -1.4281 -1.4119 -1.1254 1.0673 1.0891 2.0783 2.1376 3.2163 3.6072 3.8112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5774 0.0000 ( 79614 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1598 -34.9788 -22.2181 -22.1661 -22.1651 -22.1366 -22.1298 -17.7800 -17.5691 -17.2172 -17.2017 -17.0091 -16.9641 -13.2895 -13.0062 -11.5923 -8.1427 -5.4925 -3.9384 -3.4041 -2.8246 -2.2020 -2.0403 -1.4252 -1.4114 -1.1301 1.0655 1.1002 2.0825 2.1232 3.2144 3.6073 3.8098 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.0271 0.0000 ( 79431 PWs) bands (ev): -47.9352 -47.9352 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2050 -35.0040 -22.1808 -22.1804 -22.1637 -22.1477 -22.1475 -17.7690 -17.0902 -17.0740 -17.0563 -16.9123 -16.9095 -14.4682 -13.4669 -11.8105 -7.2451 -3.3670 -2.4373 -2.0514 -2.0299 -1.8163 -1.7781 -1.5411 -1.4969 -0.8807 -0.2596 1.4347 1.8663 2.7143 2.7992 2.8324 3.0704 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0038 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.0451 0.0000 ( 79395 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2046 -35.0037 -22.1811 -22.1801 -22.1635 -22.1478 -22.1475 -17.7675 -17.1019 -17.0756 -17.0501 -16.9163 -16.9100 -14.4601 -13.4614 -11.8075 -7.2456 -3.3613 -2.4461 -2.1112 -2.0544 -1.8501 -1.7801 -1.5905 -1.4960 -0.8405 -0.2145 1.4999 1.8764 2.6924 2.7822 2.8512 3.0530 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.0631 0.0000 ( 79410 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2039 -35.0033 -22.1815 -22.1797 -22.1632 -22.1481 -22.1474 -17.7654 -17.1155 -17.0779 -17.0448 -16.9221 -16.9106 -14.4481 -13.4531 -11.8032 -7.2467 -3.3536 -2.4599 -2.2079 -2.0904 -1.8813 -1.7815 -1.6538 -1.4940 -0.7926 -0.1540 1.5891 1.8912 2.6563 2.7624 2.8787 3.0364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.0812 0.0000 ( 79391 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2031 -35.0029 -22.1821 -22.1792 -22.1628 -22.1485 -22.1474 -17.7626 -17.1307 -17.0810 -17.0408 -16.9292 -16.9115 -14.4322 -13.4423 -11.7975 -7.2484 -3.3452 -2.4825 -2.3271 -2.1367 -1.9186 -1.7818 -1.7159 -1.4918 -0.7418 -0.0851 1.6920 1.9113 2.6151 2.7325 2.9141 3.0322 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.0992 0.0000 ( 79386 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2020 -35.0023 -22.1829 -22.1785 -22.1622 -22.1489 -22.1473 -17.7592 -17.1474 -17.0848 -17.0383 -16.9375 -16.9126 -14.4124 -13.4290 -11.7907 -7.2509 -3.3385 -2.5386 -2.4317 -2.1919 -1.9774 -1.7811 -1.7584 -1.4905 -0.6899 -0.0154 1.7916 1.9419 2.5779 2.6912 2.9564 3.0475 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.1173 0.0000 ( 79384 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9246 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2008 -35.0016 -22.1838 -22.1778 -22.1616 -22.1493 -22.1471 -17.7552 -17.1657 -17.0892 -17.0375 -16.9462 -16.9139 -14.3888 -13.4133 -11.7828 -7.2547 -3.3373 -2.6585 -2.4818 -2.2538 -2.0573 -1.7836 -1.7742 -1.4906 -0.6371 0.0482 1.8587 1.9988 2.5415 2.6577 3.0043 3.0821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.1353 0.0000 ( 79382 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7110 -35.1994 -35.0008 -22.1848 -22.1770 -22.1610 -22.1498 -22.1470 -17.7508 -17.1854 -17.0943 -17.0388 -16.9547 -16.9154 -14.3616 -13.3954 -11.7739 -7.2600 -3.3490 -2.7942 -2.5188 -2.3173 -2.1444 -1.7893 -1.7732 -1.4921 -0.5830 0.0997 1.8853 2.0775 2.4877 2.6671 3.0562 3.1330 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.1534 0.0000 ( 79405 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1979 -34.9999 -22.1860 -22.1761 -22.1602 -22.1503 -22.1468 -17.7461 -17.2065 -17.0999 -17.0426 -16.9624 -16.9171 -14.3307 -13.3756 -11.7643 -7.2674 -3.3855 -2.9156 -2.5666 -2.3737 -2.2275 -1.7911 -1.7704 -1.4950 -0.5272 0.1342 1.8921 2.1508 2.4199 2.7249 3.1103 3.1973 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.1714 0.0000 ( 79437 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1962 -34.9989 -22.1873 -22.1751 -22.1595 -22.1508 -22.1465 -17.7411 -17.2288 -17.1060 -17.0490 -16.9686 -16.9189 -14.2964 -13.3540 -11.7541 -7.2772 -3.4597 -3.0084 -2.6298 -2.4191 -2.2982 -1.7911 -1.7678 -1.4985 -0.4692 0.1487 1.8893 2.2067 2.3565 2.8129 3.1641 3.2731 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9994 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.1894 0.0000 ( 79453 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1943 -34.9979 -22.1888 -22.1742 -22.1588 -22.1512 -22.1462 -17.7359 -17.2522 -17.1125 -17.0579 -16.9734 -16.9210 -14.2587 -13.3308 -11.7434 -7.2901 -3.5715 -3.0761 -2.6977 -2.4653 -2.3458 -1.7909 -1.7659 -1.5022 -0.4090 0.1420 1.8795 2.2221 2.3338 2.9118 3.2150 3.3582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9364 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.2075 0.0000 ( 79442 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1924 -34.9968 -22.1903 -22.1732 -22.1582 -22.1514 -22.1457 -17.7308 -17.2764 -17.1194 -17.0686 -16.9768 -16.9233 -14.2179 -13.3064 -11.7325 -7.3065 -3.7068 -3.1381 -2.7548 -2.5237 -2.3650 -1.7917 -1.7652 -1.5052 -0.3467 0.1151 1.8601 2.1903 2.3696 3.0053 3.2603 3.4485 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4108 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.2255 0.0000 ( 79440 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1903 -34.9957 -22.1920 -22.1722 -22.1579 -22.1514 -22.1452 -17.7259 -17.3013 -17.1266 -17.0806 -16.9793 -16.9257 -14.1742 -13.2810 -11.7214 -7.3269 -3.8522 -3.2095 -2.7922 -2.5894 -2.3646 -1.7944 -1.7652 -1.5068 -0.2826 0.0707 1.8272 2.1600 2.4224 3.0808 3.3005 3.5364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0214 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.2436 0.0000 ( 79476 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7109 -35.1882 -34.9945 -22.1937 -22.1713 -22.1578 -22.1510 -22.1446 -17.7214 -17.3266 -17.1341 -17.0932 -16.9812 -16.9282 -14.1277 -13.2549 -11.7103 -7.3519 -3.9997 -3.2926 -2.8115 -2.6557 -2.3530 -1.8000 -1.7651 -1.5067 -0.2181 0.0132 1.7802 2.1445 2.4784 3.1293 3.3406 3.5673 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.2616 0.0000 ( 79495 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1860 -34.9932 -22.1955 -22.1705 -22.1580 -22.1504 -22.1439 -17.7174 -17.3518 -17.1417 -17.1058 -16.9828 -16.9308 -14.0787 -13.2284 -11.6994 -7.3818 -4.1449 -3.3821 -2.8221 -2.7174 -2.3346 -1.8090 -1.7641 -1.5046 -0.1611 -0.0459 1.7234 2.1404 2.5327 3.1526 3.3840 3.5663 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.2797 0.0000 ( 79517 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1838 -34.9920 -22.1974 -22.1697 -22.1584 -22.1495 -22.1431 -17.7142 -17.3768 -17.1495 -17.1181 -16.9843 -16.9335 -14.0274 -13.2019 -11.6887 -7.4169 -4.2854 -3.4722 -2.8411 -2.7618 -2.3123 -1.8213 -1.7610 -1.5006 -0.1695 -0.0457 1.6618 2.1416 2.5809 3.1654 3.4256 3.5641 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.2977 0.0000 ( 79534 PWs) bands (ev): -47.9351 -47.9350 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1816 -34.9908 -22.1993 -22.1690 -22.1589 -22.1485 -22.1422 -17.7119 -17.4011 -17.1574 -17.1297 -16.9857 -16.9363 -13.9743 -13.1756 -11.6784 -7.4573 -4.4198 -3.5587 -2.8855 -2.7749 -2.2887 -1.8363 -1.7550 -1.4951 -0.2431 0.0168 1.5994 2.1437 2.6179 3.1831 3.4585 3.5607 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0009 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.3157 0.0000 ( 79552 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1793 -34.9895 -22.2011 -22.1685 -22.1594 -22.1474 -22.1412 -17.7108 -17.4244 -17.1651 -17.1405 -16.9872 -16.9391 -13.9195 -13.1500 -11.6684 -7.5028 -4.5473 -3.6387 -2.9417 -2.7721 -2.2661 -1.8534 -1.7453 -1.4884 -0.3281 0.0899 1.5383 2.1441 2.6392 3.2153 3.4776 3.5600 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2273 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.3338 0.0000 ( 79556 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1771 -34.9883 -22.2030 -22.1679 -22.1600 -22.1462 -22.1402 -17.7110 -17.4463 -17.1727 -17.1503 -16.9888 -16.9418 -13.8634 -13.1254 -11.6589 -7.5531 -4.6673 -3.7104 -2.9990 -2.7652 -2.2466 -1.8719 -1.7309 -1.4809 -0.4153 0.1667 1.4797 2.1419 2.6438 3.2643 3.4809 3.5664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9557 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.3518 0.0000 ( 79548 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1750 -34.9871 -22.2049 -22.1675 -22.1606 -22.1451 -22.1391 -17.7128 -17.4665 -17.1798 -17.1592 -16.9905 -16.9446 -13.8066 -13.1021 -11.6499 -7.6074 -4.7797 -3.7728 -3.0545 -2.7576 -2.2315 -1.8911 -1.7113 -1.4731 -0.5019 0.2458 1.4243 2.1372 2.6336 3.3241 3.4760 3.5787 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.3699 0.0000 ( 79541 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1729 -34.9860 -22.2066 -22.1672 -22.1612 -22.1440 -22.1380 -17.7160 -17.4848 -17.1863 -17.1672 -16.9923 -16.9473 -13.7494 -13.0806 -11.6415 -7.6649 -4.8844 -3.8252 -3.1072 -2.7510 -2.2214 -1.9107 -1.6869 -1.4651 -0.5862 0.3267 1.3724 2.1305 2.6120 3.3743 3.4834 3.5948 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.3879 0.0000 ( 79515 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1709 -34.9849 -22.2083 -22.1669 -22.1618 -22.1429 -22.1369 -17.7208 -17.5011 -17.1922 -17.1743 -16.9941 -16.9498 -13.6923 -13.0612 -11.6337 -7.7245 -4.9813 -3.8676 -3.1564 -2.7465 -2.2156 -1.9300 -1.6585 -1.4573 -0.6667 0.4092 1.3243 2.1227 2.5817 3.3837 3.5243 3.6216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.4059 0.0000 ( 79525 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1691 -34.9839 -22.2100 -22.1667 -22.1623 -22.1418 -22.1358 -17.7268 -17.5152 -17.1973 -17.1806 -16.9961 -16.9523 -13.6358 -13.0441 -11.6264 -7.7848 -5.0704 -3.9003 -3.2019 -2.7448 -2.2131 -1.9488 -1.6274 -1.4499 -0.7426 0.4929 1.2800 2.1145 2.5447 3.3680 3.5615 3.6767 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.4240 0.0000 ( 79495 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1673 -34.9829 -22.2115 -22.1666 -22.1628 -22.1409 -22.1347 -17.7339 -17.5272 -17.2016 -17.1860 -16.9980 -16.9546 -13.5807 -13.0297 -11.6198 -7.8446 -5.1516 -3.9240 -3.2434 -2.7466 -2.2126 -1.9667 -1.5952 -1.4430 -0.8129 0.5772 1.2396 2.1066 2.5023 3.3451 3.5783 3.7512 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.4420 0.0000 ( 79531 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1657 -34.9821 -22.2129 -22.1664 -22.1633 -22.1400 -22.1337 -17.7416 -17.5374 -17.2053 -17.1905 -17.0000 -16.9567 -13.5276 -13.0183 -11.6139 -7.9022 -5.2247 -3.9396 -3.2807 -2.7519 -2.2126 -1.9834 -1.5632 -1.4367 -0.8770 0.6617 1.2032 2.0992 2.4553 3.3205 3.5864 3.8125 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.4601 0.0000 ( 79570 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1643 -34.9813 -22.2141 -22.1663 -22.1637 -22.1391 -22.1328 -17.7494 -17.5458 -17.2085 -17.1941 -17.0018 -16.9586 -13.4771 -13.0098 -11.6086 -7.9564 -5.2895 -3.9485 -3.3137 -2.7606 -2.2124 -1.9985 -1.5328 -1.4311 -0.9345 0.7453 1.1709 2.0929 2.4044 3.2961 3.5910 3.8406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.4781 0.0000 ( 79590 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1630 -34.9806 -22.2152 -22.1663 -22.1641 -22.1384 -22.1320 -17.7570 -17.5527 -17.2112 -17.1968 -17.0036 -16.9603 -13.4302 -13.0043 -11.6040 -8.0057 -5.3457 -3.9519 -3.3421 -2.7719 -2.2114 -2.0119 -1.5049 -1.4262 -0.9850 0.8265 1.1429 2.0876 2.3509 3.2735 3.5937 3.8443 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.4962 0.0000 ( 79588 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1620 -34.9800 -22.2161 -22.1662 -22.1644 -22.1378 -22.1313 -17.7639 -17.5582 -17.2136 -17.1987 -17.0051 -16.9617 -13.3879 -13.0016 -11.6001 -8.0489 -5.3931 -3.9515 -3.3660 -2.7848 -2.2096 -2.0233 -1.4803 -1.4222 -1.0279 0.9033 1.1192 2.0837 2.2962 3.2538 3.5954 3.8387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.5142 0.0000 ( 79606 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1611 -34.9796 -22.2169 -22.1662 -22.1646 -22.1373 -22.1307 -17.7698 -17.5625 -17.2155 -17.2000 -17.0065 -16.9629 -13.3514 -13.0013 -11.5970 -8.0849 -5.4314 -3.9488 -3.3852 -2.7977 -2.2074 -2.0327 -1.4598 -1.4189 -1.0631 0.9729 1.1002 2.0816 2.2431 3.2377 3.5965 3.8309 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.5322 0.0000 ( 79622 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1604 -34.9792 -22.2175 -22.1662 -22.1648 -22.1370 -22.1303 -17.7745 -17.5656 -17.2171 -17.2007 -17.0075 -16.9638 -13.3219 -13.0026 -11.5946 -8.1128 -5.4603 -3.9452 -3.3996 -2.8091 -2.2050 -2.0398 -1.4437 -1.4164 -1.0900 1.0311 1.0862 2.0817 2.1948 3.2256 3.5971 3.8237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.5503 0.0000 ( 79598 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1600 -34.9790 -22.2178 -22.1662 -22.1649 -22.1367 -22.1300 -17.7777 -17.5677 -17.2182 -17.2011 -17.0083 -16.9644 -13.3009 -13.0044 -11.5930 -8.1317 -5.4797 -3.9420 -3.4092 -2.8176 -2.2032 -2.0446 -1.4327 -1.4147 -1.1084 1.0686 1.0820 2.0849 2.1553 3.2176 3.5974 3.8183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0156 0.5683 0.0000 ( 79588 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1598 -34.9788 -22.2180 -22.1662 -22.1650 -22.1366 -22.1299 -17.7794 -17.5687 -17.2187 -17.2013 -17.0087 -16.9647 -13.2900 -13.0057 -11.5922 -8.1413 -5.4895 -3.9402 -3.4141 -2.8222 -2.2021 -2.0470 -1.4270 -1.4139 -1.1177 1.0691 1.0996 2.0907 2.1297 3.2137 3.5976 3.8155 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.0541 0.0000 ( 79401 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2040 -35.0034 -22.1815 -22.1798 -22.1632 -22.1481 -22.1474 -17.7657 -17.1133 -17.0777 -17.0455 -16.9211 -16.9106 -14.4501 -13.4545 -11.8039 -7.2465 -3.3548 -2.4573 -2.1838 -2.0979 -1.8736 -1.7810 -1.6367 -1.5005 -0.7997 -0.1634 1.5755 1.8887 2.6631 2.7616 2.8759 3.0400 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.0722 0.0000 ( 79381 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2033 -35.0030 -22.1820 -22.1793 -22.1629 -22.1484 -22.1474 -17.7633 -17.1268 -17.0807 -17.0414 -16.9274 -16.9114 -14.4362 -13.4450 -11.7989 -7.2479 -3.3470 -2.4748 -2.2862 -2.1557 -1.8938 -1.7809 -1.6917 -1.5039 -0.7532 -0.1009 1.6707 1.9055 2.6257 2.7308 2.9094 3.0360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.0902 0.0000 ( 79377 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2024 -35.0025 -22.1826 -22.1787 -22.1624 -22.1487 -22.1473 -17.7602 -17.1422 -17.0845 -17.0383 -16.9349 -16.9125 -14.4183 -13.4329 -11.7927 -7.2501 -3.3398 -2.5083 -2.4006 -2.2209 -1.9217 -1.7801 -1.7440 -1.5055 -0.7040 -0.0341 1.7738 1.9286 2.5885 2.6878 2.9502 3.0479 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.1083 0.0000 ( 79376 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2012 -35.0018 -22.1834 -22.1781 -22.1618 -22.1492 -22.1472 -17.7565 -17.1592 -17.0892 -17.0367 -16.9431 -16.9138 -14.3967 -13.4185 -11.7854 -7.2533 -3.3360 -2.5975 -2.4776 -2.2883 -1.9711 -1.7862 -1.7710 -1.5065 -0.6533 0.0303 1.8608 1.9701 2.5552 2.6418 2.9966 3.0769 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.1263 0.0000 ( 79398 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7110 -35.1999 -35.0011 -22.1844 -22.1773 -22.1612 -22.1497 -22.1470 -17.7524 -17.1777 -17.0945 -17.0368 -16.9514 -16.9153 -14.3713 -13.4017 -11.7770 -7.2580 -3.3412 -2.7294 -2.5248 -2.3499 -2.0417 -1.7997 -1.7705 -1.5078 -0.6009 0.0858 1.9028 2.0453 2.5111 2.6244 3.0468 3.1211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.1443 0.0000 ( 79412 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1984 -35.0002 -22.1855 -22.1765 -22.1605 -22.1502 -22.1468 -17.7478 -17.1977 -17.1005 -17.0391 -16.9593 -16.9170 -14.3422 -13.3829 -11.7678 -7.2644 -3.3646 -2.8595 -2.5812 -2.3960 -2.1221 -1.8055 -1.7672 -1.5097 -0.5467 0.1273 1.9169 2.1257 2.4479 2.6581 3.0980 3.1779 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.1624 0.0000 ( 79420 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1968 -34.9993 -22.1867 -22.1756 -22.1597 -22.1506 -22.1466 -17.7430 -17.2191 -17.1071 -17.0437 -16.9660 -16.9190 -14.3097 -13.3623 -11.7579 -7.2731 -3.4192 -2.9688 -2.6501 -2.4254 -2.2031 -1.8076 -1.7636 -1.5122 -0.4903 0.1511 1.9190 2.1891 2.3838 2.7316 3.1464 3.2454 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.1804 0.0000 ( 79440 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1950 -34.9983 -22.1881 -22.1747 -22.1590 -22.1511 -22.1463 -17.7379 -17.2416 -17.1143 -17.0507 -16.9714 -16.9211 -14.2737 -13.3399 -11.7476 -7.2846 -3.5127 -3.0517 -2.7200 -2.4473 -2.2770 -1.8092 -1.7606 -1.5147 -0.4315 0.1549 1.9126 2.2214 2.3450 2.8274 3.1866 3.3218 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9845 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.1985 0.0000 ( 79466 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1931 -34.9972 -22.1896 -22.1737 -22.1583 -22.1514 -22.1459 -17.7328 -17.2652 -17.1219 -17.0598 -16.9753 -16.9233 -14.2345 -13.3162 -11.7368 -7.2993 -3.6370 -3.1210 -2.7782 -2.4759 -2.3319 -1.8117 -1.7582 -1.5167 -0.3705 0.1387 1.8960 2.2053 2.3624 2.9294 3.2142 3.4047 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.6713 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.2165 0.0000 ( 79462 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1912 -34.9961 -22.1912 -22.1728 -22.1579 -22.1515 -22.1454 -17.7278 -17.2895 -17.1300 -17.0703 -16.9781 -16.9257 -14.1923 -13.2914 -11.7258 -7.3178 -3.7775 -3.1937 -2.8172 -2.5243 -2.3562 -1.8159 -1.7568 -1.5176 -0.3074 0.1041 1.8653 2.1779 2.4089 3.0243 3.2301 3.4916 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0918 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.2345 0.0000 ( 79455 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1891 -34.9950 -22.1928 -22.1719 -22.1576 -22.1514 -22.1448 -17.7231 -17.3144 -17.1383 -17.0817 -16.9802 -16.9283 -14.1472 -13.2657 -11.7148 -7.3406 -3.9238 -3.2754 -2.8389 -2.5863 -2.3560 -1.8223 -1.7561 -1.5169 -0.2428 0.0543 1.8195 2.1630 2.4625 3.0969 3.2473 3.5818 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.2526 0.0000 ( 79479 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1869 -34.9938 -22.1946 -22.1711 -22.1577 -22.1509 -22.1442 -17.7189 -17.3395 -17.1468 -17.0933 -16.9819 -16.9309 -14.0995 -13.2395 -11.7039 -7.3681 -4.0700 -3.3632 -2.8516 -2.6492 -2.3429 -1.8310 -1.7557 -1.5144 -0.1794 -0.0049 1.7625 2.1603 2.5168 3.1311 3.2864 3.5882 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.2706 0.0000 ( 79517 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1847 -34.9925 -22.1964 -22.1703 -22.1580 -22.1501 -22.1434 -17.7153 -17.3644 -17.1554 -17.1049 -16.9834 -16.9337 -14.0494 -13.2130 -11.6931 -7.4007 -4.2127 -3.4521 -2.8660 -2.7032 -2.3231 -1.8420 -1.7547 -1.5102 -0.1390 -0.0485 1.7001 2.1640 2.5671 3.1401 3.3407 3.5777 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.2887 0.0000 ( 79537 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1825 -34.9913 -22.1983 -22.1696 -22.1585 -22.1492 -22.1425 -17.7125 -17.3889 -17.1640 -17.1162 -16.9848 -16.9364 -13.9972 -13.1867 -11.6826 -7.4384 -4.3500 -3.5382 -2.8937 -2.7383 -2.3003 -1.8549 -1.7521 -1.5045 -0.1856 -0.0096 1.6364 2.1690 2.6080 3.1498 3.3893 3.5707 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.3067 0.0000 ( 79560 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1803 -34.9901 -22.2001 -22.1689 -22.1590 -22.1481 -22.1416 -17.7108 -17.4126 -17.1723 -17.1269 -16.9862 -16.9392 -13.9433 -13.1608 -11.6725 -7.4814 -4.4808 -3.6188 -2.9381 -2.7526 -2.2773 -1.8695 -1.7466 -1.4977 -0.2646 0.0598 1.5739 2.1723 2.6345 3.1741 3.4209 3.5716 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0057 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.3248 0.0000 ( 79540 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1781 -34.9888 -22.2020 -22.1684 -22.1596 -22.1470 -22.1405 -17.7104 -17.4351 -17.1801 -17.1370 -16.9877 -16.9421 -13.8879 -13.1357 -11.6628 -7.5293 -4.6045 -3.6919 -2.9916 -2.7544 -2.2566 -1.8854 -1.7367 -1.4901 -0.3491 0.1349 1.5138 2.1727 2.6441 3.2173 3.4320 3.5824 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4379 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.3428 0.0000 ( 79547 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1759 -34.9876 -22.2038 -22.1679 -22.1602 -22.1459 -22.1395 -17.7113 -17.4561 -17.1874 -17.1464 -16.9893 -16.9448 -13.8315 -13.1118 -11.6536 -7.5816 -4.7206 -3.7563 -3.0474 -2.7511 -2.2398 -1.9023 -1.7217 -1.4821 -0.4346 0.2130 1.4570 2.1700 2.6382 3.2771 3.4286 3.5991 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9876 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.3608 0.0000 ( 79541 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1738 -34.9865 -22.2056 -22.1676 -22.1608 -22.1448 -22.1384 -17.7138 -17.4754 -17.1940 -17.1552 -16.9910 -16.9476 -13.7745 -13.0895 -11.6449 -7.6375 -4.8291 -3.8113 -3.1022 -2.7464 -2.2279 -1.9200 -1.7011 -1.4740 -0.5187 0.2931 1.4037 2.1647 2.6203 3.3432 3.4217 3.6182 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.3789 0.0000 ( 79521 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1718 -34.9854 -22.2074 -22.1673 -22.1614 -22.1436 -22.1373 -17.7177 -17.4926 -17.1998 -17.1631 -16.9928 -16.9502 -13.7174 -13.0690 -11.6368 -7.6960 -4.9299 -3.8567 -3.1544 -2.7425 -2.2206 -1.9381 -1.6755 -1.4661 -0.5999 0.3748 1.3542 2.1576 2.5934 3.3759 3.4463 3.6417 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.3969 0.0000 ( 79513 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1699 -34.9843 -22.2090 -22.1670 -22.1619 -22.1426 -22.1362 -17.7230 -17.5078 -17.2048 -17.1704 -16.9946 -16.9528 -13.6607 -13.0508 -11.6293 -7.7559 -5.0228 -3.8925 -3.2032 -2.7405 -2.2170 -1.9564 -1.6461 -1.4585 -0.6772 0.4579 1.3086 2.1497 2.5597 3.3639 3.5015 3.6784 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.4150 0.0000 ( 79518 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1681 -34.9833 -22.2106 -22.1668 -22.1624 -22.1415 -22.1351 -17.7295 -17.5208 -17.2089 -17.1768 -16.9965 -16.9552 -13.6049 -13.0352 -11.6223 -7.8158 -5.1078 -3.9193 -3.2481 -2.7412 -2.2157 -1.9744 -1.6146 -1.4514 -0.7494 0.5420 1.2668 2.1415 2.5206 3.3439 3.5391 3.7353 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.4330 0.0000 ( 79516 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1664 -34.9824 -22.2120 -22.1667 -22.1629 -22.1406 -22.1342 -17.7368 -17.5319 -17.2123 -17.1825 -16.9984 -16.9574 -13.5508 -13.0223 -11.6161 -7.8745 -5.1848 -3.9380 -3.2888 -2.7452 -2.2154 -1.9917 -1.5824 -1.4449 -0.8160 0.6264 1.2290 2.1337 2.4768 3.3218 3.5572 3.7983 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.4511 0.0000 ( 79568 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1649 -34.9816 -22.2133 -22.1666 -22.1633 -22.1397 -22.1332 -17.7445 -17.5412 -17.2150 -17.1873 -17.0002 -16.9595 -13.4990 -13.0123 -11.6105 -7.9303 -5.2536 -3.9495 -3.3251 -2.7524 -2.2150 -2.0080 -1.5510 -1.4391 -0.8763 0.7104 1.1953 2.1267 2.4290 3.2994 3.5651 3.8406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.4691 0.0000 ( 79578 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1635 -34.9809 -22.2145 -22.1665 -22.1637 -22.1389 -22.1324 -17.7522 -17.5488 -17.2172 -17.1913 -17.0019 -16.9613 -13.4503 -13.0054 -11.6055 -7.9820 -5.3140 -3.9552 -3.3568 -2.7625 -2.2140 -2.0229 -1.5216 -1.4341 -0.9299 0.7927 1.1657 2.1206 2.3781 3.2777 3.5683 3.8549 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.4871 0.0000 ( 79558 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1624 -34.9803 -22.2155 -22.1665 -22.1641 -22.1382 -22.1317 -17.7593 -17.5550 -17.2190 -17.1944 -17.0035 -16.9629 -13.4057 -13.0014 -11.6013 -8.0282 -5.3656 -3.9564 -3.3837 -2.7745 -2.2121 -2.0360 -1.4953 -1.4298 -0.9762 0.8718 1.1404 2.1155 2.3255 3.2579 3.5695 3.8540 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.5052 0.0000 ( 79596 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1614 -34.9797 -22.2163 -22.1665 -22.1643 -22.1376 -22.1311 -17.7657 -17.5599 -17.2205 -17.1968 -17.0049 -16.9643 -13.3661 -13.0000 -11.5978 -8.0677 -5.4083 -3.9548 -3.4059 -2.7872 -2.2096 -2.0471 -1.4727 -1.4262 -1.0149 0.9450 1.1196 2.1116 2.2733 3.2408 3.5698 3.8481 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.5232 0.0000 ( 79608 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1607 -34.9793 -22.2170 -22.1664 -22.1646 -22.1372 -22.1306 -17.7710 -17.5636 -17.2217 -17.1984 -17.0060 -16.9653 -13.3330 -13.0006 -11.5950 -8.0996 -5.4418 -3.9516 -3.4231 -2.7991 -2.2069 -2.0560 -1.4545 -1.4233 -1.0457 1.0089 1.1036 2.1091 2.2245 3.2273 3.5697 3.8415 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.5413 0.0000 ( 79586 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1601 -34.9790 -22.2174 -22.1664 -22.1647 -22.1369 -22.1303 -17.7749 -17.5662 -17.2225 -17.1995 -17.0069 -16.9661 -13.3076 -13.0023 -11.5931 -8.1230 -5.4659 -3.9483 -3.4354 -2.8089 -2.2044 -2.0625 -1.4413 -1.4210 -1.0681 1.0580 1.0937 2.1085 2.1830 3.2175 3.5696 3.8360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.5593 0.0000 ( 79600 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1598 -34.9788 -22.2177 -22.1664 -22.1648 -22.1367 -22.1301 -17.7773 -17.5677 -17.2231 -17.2000 -17.0074 -16.9666 -13.2915 -13.0040 -11.5919 -8.1372 -5.4804 -3.9458 -3.4428 -2.8153 -2.2028 -2.0664 -1.4335 -1.4192 -1.0818 1.0774 1.1005 2.1102 2.1534 3.2117 3.5695 3.8324 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0312 0.5774 0.0000 ( 79598 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1597 -34.9788 -22.2178 -22.1664 -22.1648 -22.1366 -22.1300 -17.7781 -17.5682 -17.2232 -17.2002 -17.0076 -16.9667 -13.2860 -13.0047 -11.5915 -8.1420 -5.4852 -3.9449 -3.4452 -2.8175 -2.2022 -2.0677 -1.4311 -1.4185 -1.0864 1.0775 1.1098 2.1123 2.1414 3.2097 3.5695 3.8311 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.0812 0.0000 ( 79387 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2025 -35.0025 -22.1825 -22.1788 -22.1624 -22.1487 -22.1473 -17.7605 -17.1404 -17.0846 -17.0383 -16.9339 -16.9125 -14.4203 -13.4343 -11.7934 -7.2498 -3.3403 -2.4996 -2.3829 -2.2375 -1.9026 -1.7794 -1.7347 -1.5144 -0.7088 -0.0406 1.7678 1.9242 2.5925 2.6847 2.9485 3.0497 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.0992 0.0000 ( 79367 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9247 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2014 -35.0019 -22.1832 -22.1782 -22.1619 -22.1491 -22.1472 -17.7572 -17.1557 -17.0895 -17.0362 -16.9414 -16.9139 -14.4006 -13.4211 -11.7867 -7.2527 -3.3357 -2.5554 -2.4791 -2.3149 -1.9193 -1.7867 -1.7691 -1.5218 -0.6615 0.0207 1.8660 1.9524 2.5614 2.6307 2.9934 3.0783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.1173 0.0000 ( 79389 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7110 -35.2002 -35.0012 -22.1841 -22.1776 -22.1613 -22.1496 -22.1471 -17.7533 -17.1728 -17.0952 -17.0354 -16.9492 -16.9155 -14.3771 -13.4056 -11.7789 -7.2568 -3.3374 -2.6691 -2.5461 -2.3744 -1.9594 -1.8141 -1.7691 -1.5265 -0.6117 0.0766 1.9272 2.0164 2.5257 2.5902 3.0420 3.1195 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.1353 0.0000 ( 79406 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1988 -35.0005 -22.1851 -22.1768 -22.1606 -22.1500 -22.1469 -17.7490 -17.1914 -17.1019 -17.0364 -16.9568 -16.9173 -14.3499 -13.3879 -11.7702 -7.2625 -3.3522 -2.8001 -2.6146 -2.4115 -2.0247 -1.8270 -1.7653 -1.5296 -0.5597 0.1220 1.9496 2.1036 2.4680 2.5970 3.0917 3.1696 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.1534 0.0000 ( 79405 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1973 -34.9996 -22.1862 -22.1760 -22.1599 -22.1505 -22.1467 -17.7443 -17.2114 -17.1092 -17.0393 -16.9637 -16.9194 -14.3192 -13.3683 -11.7608 -7.2703 -3.3910 -2.9221 -2.6886 -2.4325 -2.1030 -1.8320 -1.7611 -1.5319 -0.5052 0.1526 1.9592 2.1747 2.4069 2.6474 3.1373 3.2263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.1714 0.0000 ( 79440 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1956 -34.9986 -22.1875 -22.1752 -22.1591 -22.1510 -22.1464 -17.7394 -17.2328 -17.1173 -17.0445 -16.9693 -16.9216 -14.2850 -13.3469 -11.7507 -7.2806 -3.4647 -3.0241 -2.7578 -2.4448 -2.1845 -1.8352 -1.7572 -1.5334 -0.4482 0.1656 1.9591 2.2134 2.3663 2.7301 3.1695 3.2903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9957 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.1894 0.0000 ( 79440 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1938 -34.9976 -22.1889 -22.1743 -22.1584 -22.1514 -22.1460 -17.7344 -17.2553 -17.1258 -17.0517 -16.9736 -16.9240 -14.2475 -13.3240 -11.7402 -7.2939 -3.5734 -3.1096 -2.8125 -2.4552 -2.2612 -1.8392 -1.7539 -1.5341 -0.3888 0.1598 1.9461 2.2100 2.3715 2.8305 3.1821 3.3629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.8308 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.2075 0.0000 ( 79457 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1918 -34.9965 -22.1904 -22.1734 -22.1578 -22.1517 -22.1455 -17.7294 -17.2788 -17.1348 -17.0606 -16.9768 -16.9265 -14.2069 -13.2998 -11.7295 -7.3107 -3.7052 -3.1912 -2.8480 -2.4748 -2.3208 -1.8451 -1.7514 -1.5335 -0.3270 0.1359 1.9159 2.1918 2.4091 2.9353 3.1773 3.4430 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2178 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.2255 0.0000 ( 79458 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1898 -34.9954 -22.1920 -22.1725 -22.1575 -22.1517 -22.1450 -17.7246 -17.3030 -17.1441 -17.0706 -16.9791 -16.9291 -14.1633 -13.2747 -11.7186 -7.3315 -3.8477 -3.2761 -2.8675 -2.5177 -2.3478 -1.8531 -1.7498 -1.5315 -0.2631 0.0960 1.8681 2.1839 2.4579 3.0336 3.1648 3.5274 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0050 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.2436 0.0000 ( 79474 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7109 -35.1877 -34.9942 -22.1937 -22.1717 -22.1574 -22.1514 -22.1443 -17.7202 -17.3276 -17.1534 -17.0812 -16.9809 -16.9319 -14.1170 -13.2488 -11.7077 -7.3568 -3.9932 -3.3636 -2.8787 -2.5777 -2.3469 -1.8633 -1.7489 -1.5280 -0.1983 0.0436 1.8085 2.1874 2.5099 3.0981 3.1751 3.5961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.2616 0.0000 ( 79491 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1855 -34.9930 -22.1954 -22.1709 -22.1576 -22.1508 -22.1436 -17.7163 -17.3523 -17.1627 -17.0922 -16.9824 -16.9347 -14.0682 -13.2226 -11.6969 -7.3870 -4.1370 -3.4509 -2.8899 -2.6381 -2.3321 -1.8750 -1.7483 -1.5229 -0.1382 -0.0128 1.7436 2.1967 2.5602 3.1013 3.2404 3.5896 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.2797 0.0000 ( 79505 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1833 -34.9918 -22.1972 -22.1702 -22.1580 -22.1499 -22.1427 -17.7131 -17.3768 -17.1718 -17.1031 -16.9837 -16.9375 -14.0171 -13.1963 -11.6863 -7.4223 -4.2766 -3.5351 -2.9096 -2.6872 -2.3114 -1.8878 -1.7473 -1.5166 -0.1293 -0.0237 1.6778 2.2069 2.6029 3.0997 3.3081 3.5771 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.2977 0.0000 ( 79543 PWs) bands (ev): -47.9351 -47.9350 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1811 -34.9905 -22.1991 -22.1695 -22.1585 -22.1490 -22.1418 -17.7109 -17.4006 -17.1805 -17.1138 -16.9851 -16.9404 -13.9642 -13.1704 -11.6761 -7.4627 -4.4104 -3.6142 -2.9440 -2.7184 -2.2889 -1.9012 -1.7447 -1.5092 -0.1941 0.0356 1.6134 2.2150 2.6321 3.1147 3.3590 3.5732 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.3157 0.0000 ( 79527 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1789 -34.9893 -22.2009 -22.1690 -22.1591 -22.1479 -22.1408 -17.7098 -17.4235 -17.1886 -17.1241 -16.9865 -16.9432 -13.9096 -13.1450 -11.6662 -7.5081 -4.5374 -3.6865 -2.9919 -2.7330 -2.2676 -1.9147 -1.7392 -1.5012 -0.2732 0.1084 1.5518 2.2195 2.6441 3.1511 3.3868 3.5827 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0111 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.3338 0.0000 ( 79529 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1768 -34.9881 -22.2027 -22.1685 -22.1596 -22.1468 -22.1397 -17.7100 -17.4451 -17.1961 -17.1340 -16.9880 -16.9461 -13.8538 -13.1206 -11.6568 -7.5581 -4.6572 -3.7508 -3.0469 -2.7373 -2.2499 -1.9285 -1.7292 -1.4929 -0.3556 0.1851 1.4935 2.2200 2.6402 3.2064 3.3941 3.6032 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.5098 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.3518 0.0000 ( 79535 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1746 -34.9869 -22.2045 -22.1681 -22.1602 -22.1457 -22.1387 -17.7116 -17.4651 -17.2028 -17.1433 -16.9896 -16.9489 -13.7972 -13.0976 -11.6479 -7.6121 -4.7695 -3.8064 -3.1038 -2.7369 -2.2368 -1.9428 -1.7136 -1.4846 -0.4380 0.2643 1.4390 2.2169 2.6243 3.2718 3.3920 3.6276 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9903 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.3699 0.0000 ( 79531 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1726 -34.9858 -22.2063 -22.1678 -22.1608 -22.1446 -22.1376 -17.7147 -17.4833 -17.2086 -17.1521 -16.9913 -16.9516 -13.7403 -13.0763 -11.6396 -7.6691 -4.8740 -3.8530 -3.1597 -2.7352 -2.2285 -1.9580 -1.6922 -1.4764 -0.5186 0.3453 1.3884 2.2111 2.5999 3.3263 3.3999 3.6533 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.3879 0.0000 ( 79523 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1706 -34.9847 -22.2079 -22.1675 -22.1614 -22.1434 -22.1365 -17.7193 -17.4994 -17.2136 -17.1602 -16.9930 -16.9542 -13.6834 -13.0571 -11.6318 -7.7281 -4.9707 -3.8905 -3.2128 -2.7339 -2.2241 -1.9741 -1.6658 -1.4686 -0.5961 0.4277 1.3417 2.2037 2.5694 3.3361 3.4446 3.6844 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.4059 0.0000 ( 79509 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1688 -34.9837 -22.2095 -22.1673 -22.1619 -22.1424 -22.1355 -17.7250 -17.5135 -17.2176 -17.1675 -16.9948 -16.9568 -13.6273 -13.0403 -11.6246 -7.7878 -5.0595 -3.9193 -3.2623 -2.7345 -2.2223 -1.9909 -1.6359 -1.4613 -0.6695 0.5113 1.2990 2.1955 2.5339 3.3249 3.4917 3.7287 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.4240 0.0000 ( 79521 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1670 -34.9828 -22.2110 -22.1671 -22.1624 -22.1413 -22.1345 -17.7318 -17.5255 -17.2209 -17.1742 -16.9966 -16.9591 -13.5724 -13.0261 -11.6180 -7.8468 -5.1403 -3.9401 -3.3076 -2.7377 -2.2216 -2.0082 -1.6042 -1.4546 -0.7378 0.5955 1.2602 2.1872 2.4941 3.3089 3.5196 3.7854 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.4420 0.0000 ( 79550 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1655 -34.9819 -22.2124 -22.1670 -22.1629 -22.1404 -22.1336 -17.7391 -17.5357 -17.2234 -17.1800 -16.9983 -16.9614 -13.5195 -13.0147 -11.6121 -7.9038 -5.2129 -3.9538 -3.3483 -2.7436 -2.2209 -2.0253 -1.5725 -1.4486 -0.8003 0.6796 1.2255 2.1793 2.4506 3.2914 3.5314 3.8368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.4601 0.0000 ( 79567 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1640 -34.9811 -22.2136 -22.1670 -22.1633 -22.1395 -22.1328 -17.7466 -17.5441 -17.2254 -17.1851 -16.9999 -16.9634 -13.4693 -13.0064 -11.6068 -7.9574 -5.2772 -3.9615 -3.3842 -2.7523 -2.2195 -2.0418 -1.5421 -1.4433 -0.8565 0.7626 1.1948 2.1719 2.4039 3.2735 3.5344 3.8649 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.4781 0.0000 ( 79564 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1628 -34.9805 -22.2146 -22.1669 -22.1636 -22.1387 -22.1321 -17.7539 -17.5510 -17.2269 -17.1893 -17.0015 -16.9652 -13.4227 -13.0010 -11.6022 -8.0061 -5.3329 -3.9645 -3.4150 -2.7630 -2.2172 -2.0569 -1.5143 -1.4387 -0.9058 0.8430 1.1683 2.1650 2.3553 3.2560 3.5337 3.8727 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.4962 0.0000 ( 79576 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1617 -34.9799 -22.2155 -22.1669 -22.1639 -22.1381 -22.1315 -17.7606 -17.5565 -17.2280 -17.1926 -17.0028 -16.9667 -13.3806 -12.9985 -11.5984 -8.0488 -5.3798 -3.9641 -3.4408 -2.7748 -2.2142 -2.0703 -1.4899 -1.4347 -0.9478 0.9189 1.1461 2.1584 2.3068 3.2399 3.5316 3.8713 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.5142 0.0000 ( 79590 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1609 -34.9794 -22.2163 -22.1668 -22.1642 -22.1375 -22.1310 -17.7663 -17.5608 -17.2289 -17.1952 -17.0040 -16.9680 -13.3442 -12.9982 -11.5953 -8.0843 -5.4176 -3.9617 -3.4613 -2.7865 -2.2108 -2.0816 -1.4700 -1.4311 -0.9821 0.9871 1.1286 2.1512 2.2617 3.2262 3.5295 3.8669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.5322 0.0000 ( 79567 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1602 -34.9791 -22.2168 -22.1668 -22.1644 -22.1371 -22.1306 -17.7708 -17.5640 -17.2295 -17.1970 -17.0049 -16.9689 -13.3148 -12.9995 -11.5929 -8.1118 -5.4462 -3.9586 -3.4767 -2.7967 -2.2076 -2.0904 -1.4551 -1.4278 -1.0084 1.0432 1.1167 2.1425 2.2248 3.2154 3.5278 3.8624 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.5503 0.0000 ( 79598 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1598 -34.9788 -22.2172 -22.1668 -22.1645 -22.1368 -22.1304 -17.7740 -17.5660 -17.2299 -17.1982 -17.0055 -16.9696 -13.2940 -13.0014 -11.5913 -8.1305 -5.4654 -3.9559 -3.4869 -2.8043 -2.2050 -2.0964 -1.4459 -1.4246 -1.0261 1.0792 1.1139 2.1319 2.2010 3.2082 3.5266 3.8589 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0469 0.5683 0.0000 ( 79600 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1596 -34.9787 -22.2174 -22.1668 -22.1645 -22.1367 -22.1302 -17.7756 -17.5670 -17.2301 -17.1987 -17.0058 -16.9699 -13.2831 -13.0027 -11.5905 -8.1400 -5.4750 -3.9543 -3.4920 -2.8084 -2.2037 -2.0995 -1.4418 -1.4224 -1.0351 1.0886 1.1225 2.1236 2.1906 3.2045 3.5261 3.8571 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.1083 0.0000 ( 79387 PWs) bands (ev): -47.9352 -47.9351 -47.9283 -47.9283 -47.9246 -47.7254 -47.7244 -47.7244 -47.7110 -47.7110 -35.2003 -35.0013 -22.1840 -22.1777 -22.1614 -22.1495 -22.1471 -17.7536 -17.1710 -17.0956 -17.0350 -16.9484 -16.9156 -14.3791 -13.4068 -11.7795 -7.2564 -3.3362 -2.6350 -2.5669 -2.3830 -1.9229 -1.8248 -1.7687 -1.5354 -0.6153 0.0734 1.9423 2.0005 2.5309 2.5771 3.0403 3.1204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.1263 0.0000 ( 79413 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1990 -35.0006 -22.1849 -22.1770 -22.1607 -22.1500 -22.1469 -17.7496 -17.1880 -17.1029 -17.0349 -16.9554 -16.9176 -14.3538 -13.3904 -11.7714 -7.2616 -3.3465 -2.7464 -2.6561 -2.4186 -1.9515 -1.8565 -1.7644 -1.5444 -0.5661 0.1191 1.9762 2.0873 2.4782 2.5602 3.0884 3.1679 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.1443 0.0000 ( 79430 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1976 -34.9997 -22.1859 -22.1763 -22.1600 -22.1505 -22.1467 -17.7452 -17.2064 -17.1111 -17.0365 -16.9619 -16.9198 -14.3249 -13.3719 -11.7625 -7.2687 -3.3747 -2.8719 -2.7353 -2.4365 -2.0136 -1.8678 -1.7598 -1.5497 -0.5141 0.1534 1.9973 2.1650 2.4213 2.5819 3.1329 3.2154 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.1624 0.0000 ( 79421 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1960 -34.9988 -22.1871 -22.1755 -22.1592 -22.1510 -22.1464 -17.7405 -17.2263 -17.1201 -17.0400 -16.9676 -16.9223 -14.2925 -13.3515 -11.7529 -7.2780 -3.4309 -2.9927 -2.8007 -2.4455 -2.0918 -1.8722 -1.7554 -1.5521 -0.4592 0.1731 2.0095 2.2051 2.3875 2.6394 3.1607 3.2661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9983 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.1804 0.0000 ( 79426 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1942 -34.9978 -22.1883 -22.1747 -22.1585 -22.1514 -22.1460 -17.7356 -17.2475 -17.1298 -17.0454 -16.9721 -16.9249 -14.2568 -13.3296 -11.7427 -7.2901 -3.5206 -3.1012 -2.8480 -2.4497 -2.1745 -1.8769 -1.7513 -1.5523 -0.4016 0.1764 2.0057 2.2033 2.3938 2.7259 3.1618 3.3286 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9064 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.1985 0.0000 ( 79429 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1924 -34.9968 -22.1897 -22.1739 -22.1578 -22.1518 -22.1456 -17.7307 -17.2698 -17.1398 -17.0525 -16.9754 -16.9276 -14.2178 -13.3062 -11.7322 -7.3055 -3.6387 -3.1995 -2.8770 -2.4536 -2.2537 -1.8840 -1.7480 -1.5507 -0.3414 0.1630 1.9767 2.1949 2.4254 2.8277 3.1429 3.4019 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.3547 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.2165 0.0000 ( 79454 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1904 -34.9957 -22.1913 -22.1731 -22.1573 -22.1520 -22.1451 -17.7258 -17.2929 -17.1500 -17.0611 -16.9779 -16.9305 -14.1758 -13.2818 -11.7215 -7.3246 -3.7737 -3.2926 -2.8923 -2.4681 -2.3156 -1.8936 -1.7455 -1.5474 -0.2788 0.1338 1.9245 2.2002 2.4678 2.9326 3.1146 3.4817 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0165 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.2345 0.0000 ( 79471 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7109 -35.1883 -34.9945 -22.1929 -22.1723 -22.1570 -22.1519 -22.1444 -17.7213 -17.3167 -17.1603 -17.0706 -16.9798 -16.9334 -14.1310 -13.2565 -11.7108 -7.3480 -3.9160 -3.3825 -2.9008 -2.5094 -2.3418 -1.9053 -1.7439 -1.5426 -0.2144 0.0910 1.8599 2.2154 2.5154 3.0269 3.0915 3.5610 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.2526 0.0000 ( 79487 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1862 -34.9934 -22.1945 -22.1715 -22.1571 -22.1514 -22.1437 -17.7172 -17.3408 -17.1704 -17.0806 -16.9813 -16.9363 -14.0836 -13.2306 -11.7000 -7.3759 -4.0594 -3.4690 -2.9091 -2.5695 -2.3381 -1.9185 -1.7431 -1.5365 -0.1499 0.0389 1.7913 2.2343 2.5637 3.0430 3.1441 3.5957 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.2706 0.0000 ( 79477 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1841 -34.9922 -22.1963 -22.1708 -22.1574 -22.1507 -22.1428 -17.7137 -17.3649 -17.1801 -17.0910 -16.9827 -16.9393 -14.0338 -13.2046 -11.6895 -7.4088 -4.2002 -3.5510 -2.9239 -2.6281 -2.3215 -1.9322 -1.7426 -1.5292 -0.0986 -0.0070 1.7227 2.2526 2.6064 3.0311 3.2259 3.5839 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.2887 0.0000 ( 79478 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1819 -34.9909 -22.1981 -22.1702 -22.1579 -22.1498 -22.1419 -17.7110 -17.3887 -17.1893 -17.1015 -16.9840 -16.9422 -13.9820 -13.1786 -11.6791 -7.4467 -4.3364 -3.6275 -2.9511 -2.6739 -2.3004 -1.9455 -1.7417 -1.5212 -0.1240 0.0192 1.6562 2.2677 2.6358 3.0370 3.2948 3.5740 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.3067 0.0000 ( 79508 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1797 -34.9897 -22.1998 -22.1696 -22.1584 -22.1489 -22.1409 -17.7094 -17.4117 -17.1978 -17.1119 -16.9854 -16.9452 -13.9284 -13.1532 -11.6692 -7.4896 -4.4665 -3.6973 -2.9932 -2.7026 -2.2794 -1.9577 -1.7392 -1.5126 -0.1934 0.0871 1.5928 2.2783 2.6468 3.0673 3.3425 3.5769 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.3248 0.0000 ( 79523 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1775 -34.9885 -22.2016 -22.1691 -22.1590 -22.1478 -22.1399 -17.7089 -17.4337 -17.2056 -17.1220 -16.9868 -16.9481 -13.8734 -13.1285 -11.6596 -7.5372 -4.5898 -3.7597 -3.0465 -2.7173 -2.2613 -1.9686 -1.7336 -1.5039 -0.2703 0.1621 1.5332 2.2837 2.6411 3.1184 3.3671 3.5954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0089 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.3428 0.0000 ( 79527 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1754 -34.9873 -22.2034 -22.1687 -22.1596 -22.1467 -22.1388 -17.7097 -17.4543 -17.2125 -17.1318 -16.9883 -16.9510 -13.8174 -13.1050 -11.6505 -7.5890 -4.7056 -3.8141 -3.1055 -2.7234 -2.2480 -1.9787 -1.7233 -1.4951 -0.3493 0.2402 1.4776 2.2841 2.6242 3.1802 3.3771 3.6234 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4392 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.3608 0.0000 ( 79527 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1733 -34.9862 -22.2051 -22.1684 -22.1602 -22.1456 -22.1378 -17.7120 -17.4732 -17.2184 -17.1411 -16.9899 -16.9538 -13.7608 -13.0830 -11.6420 -7.6443 -4.8139 -3.8601 -3.1655 -2.7254 -2.2396 -1.9890 -1.7071 -1.4866 -0.4278 0.3203 1.4260 2.2805 2.6006 3.2374 3.3883 3.6537 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9799 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.3789 0.0000 ( 79521 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1713 -34.9851 -22.2068 -22.1681 -22.1608 -22.1445 -22.1368 -17.7156 -17.4903 -17.2235 -17.1499 -16.9915 -16.9565 -13.7040 -13.0629 -11.6339 -7.7019 -4.9143 -3.8977 -3.2240 -2.7262 -2.2354 -2.0007 -1.6851 -1.4786 -0.5043 0.4021 1.3786 2.2740 2.5726 3.2711 3.4167 3.6854 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.3969 0.0000 ( 79525 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1694 -34.9841 -22.2084 -22.1679 -22.1613 -22.1433 -22.1358 -17.7206 -17.5053 -17.2276 -17.1581 -16.9932 -16.9591 -13.6477 -13.0450 -11.6265 -7.7609 -5.0069 -3.9272 -3.2793 -2.7275 -2.2337 -2.0144 -1.6583 -1.4710 -0.5777 0.4851 1.3352 2.2657 2.5411 3.2791 3.4567 3.7238 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.4150 0.0000 ( 79529 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1676 -34.9831 -22.2099 -22.1677 -22.1618 -22.1423 -22.1348 -17.7266 -17.5183 -17.2309 -17.1657 -16.9948 -16.9617 -13.5924 -13.0296 -11.6196 -7.8199 -5.0913 -3.9490 -3.3304 -2.7304 -2.2331 -2.0299 -1.6283 -1.4641 -0.6468 0.5689 1.2959 2.2565 2.5064 3.2747 3.4874 3.7736 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.4330 0.0000 ( 79541 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1660 -34.9822 -22.2113 -22.1676 -22.1623 -22.1412 -22.1340 -17.7335 -17.5294 -17.2334 -17.1724 -16.9964 -16.9640 -13.5386 -13.0170 -11.6134 -7.8775 -5.1677 -3.9640 -3.3768 -2.7355 -2.2323 -2.0468 -1.5971 -1.4578 -0.7109 0.6529 1.2605 2.2470 2.4686 3.2656 3.5014 3.8276 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.4511 0.0000 ( 79558 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1645 -34.9814 -22.2125 -22.1675 -22.1627 -22.1403 -22.1332 -17.7407 -17.5387 -17.2352 -17.1784 -16.9979 -16.9662 -13.4872 -13.0073 -11.6078 -7.9324 -5.2357 -3.9730 -3.4180 -2.7427 -2.2308 -2.0641 -1.5663 -1.4521 -0.7692 0.7361 1.2292 2.2372 2.4284 3.2546 3.5029 3.8691 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.4691 0.0000 ( 79581 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1632 -34.9807 -22.2137 -22.1674 -22.1631 -22.1394 -22.1325 -17.7479 -17.5463 -17.2366 -17.1835 -16.9994 -16.9683 -13.4389 -13.0005 -11.6030 -7.9831 -5.2953 -3.9774 -3.4539 -2.7519 -2.2281 -2.0811 -1.5375 -1.4471 -0.8211 0.8175 1.2019 2.2268 2.3870 3.2426 3.4980 3.8898 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.4871 0.0000 ( 79565 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1620 -34.9801 -22.2146 -22.1674 -22.1634 -22.1386 -22.1319 -17.7546 -17.5525 -17.2376 -17.1878 -17.0006 -16.9701 -13.3946 -12.9967 -11.5988 -8.0284 -5.3461 -3.9782 -3.4842 -2.7622 -2.2245 -2.0969 -1.5118 -1.4425 -0.8661 0.8951 1.1789 2.2145 2.3467 3.2306 3.4910 3.8964 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.5052 0.0000 ( 79560 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1611 -34.9795 -22.2154 -22.1674 -22.1637 -22.1380 -22.1314 -17.7607 -17.5574 -17.2382 -17.1913 -17.0017 -16.9716 -13.3553 -12.9954 -11.5953 -8.0673 -5.3881 -3.9768 -3.5089 -2.7728 -2.2204 -2.1109 -1.4904 -1.4381 -0.9037 0.9664 1.1604 2.1983 2.3117 3.2193 3.4842 3.8967 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.5232 0.0000 ( 79570 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1603 -34.9791 -22.2161 -22.1673 -22.1639 -22.1374 -22.1310 -17.7657 -17.5611 -17.2387 -17.1939 -17.0025 -16.9728 -13.3224 -12.9961 -11.5926 -8.0985 -5.4210 -3.9742 -3.5279 -2.7825 -2.2163 -2.1226 -1.4740 -1.4338 -0.9335 1.0277 1.1471 2.1770 2.2861 3.2096 3.4786 3.8949 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.5413 0.0000 ( 79572 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1598 -34.9788 -22.2165 -22.1673 -22.1640 -22.1370 -22.1308 -17.7694 -17.5637 -17.2390 -17.1957 -17.0032 -16.9737 -13.2972 -12.9979 -11.5906 -8.1215 -5.4446 -3.9716 -3.5415 -2.7904 -2.2127 -2.1314 -1.4631 -1.4295 -0.9551 1.0732 1.1408 2.1538 2.2707 3.2022 3.4747 3.8929 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.5593 0.0000 ( 79596 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1595 -34.9787 -22.2168 -22.1673 -22.1641 -22.1368 -22.1306 -17.7717 -17.5652 -17.2392 -17.1967 -17.0036 -16.9742 -13.2812 -12.9997 -11.5894 -8.1355 -5.4588 -3.9697 -3.5495 -2.7956 -2.2103 -2.1369 -1.4573 -1.4261 -0.9682 1.0961 1.1438 2.1358 2.2630 3.1976 3.4724 3.8915 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0625 0.5774 0.0000 ( 79610 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1594 -34.9786 -22.2169 -22.1673 -22.1642 -22.1367 -22.1306 -17.7724 -17.5657 -17.2392 -17.1971 -17.0037 -16.9744 -13.2757 -13.0004 -11.5890 -8.1402 -5.4636 -3.9690 -3.5522 -2.7973 -2.2094 -2.1387 -1.4555 -1.4248 -0.9727 1.1011 1.1479 2.1290 2.2607 3.1960 3.4717 3.8909 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.1353 0.0000 ( 79439 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1977 -34.9998 -22.1858 -22.1764 -22.1600 -22.1505 -22.1467 -17.7455 -17.2047 -17.1118 -17.0356 -16.9613 -16.9200 -14.3268 -13.3731 -11.7630 -7.2681 -3.3695 -2.8397 -2.7666 -2.4378 -1.9602 -1.9016 -1.7594 -1.5569 -0.5170 0.1536 2.0139 2.1614 2.4257 2.5568 3.1315 3.2118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.1534 0.0000 ( 79433 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1961 -34.9989 -22.1868 -22.1758 -22.1593 -22.1510 -22.1464 -17.7410 -17.2228 -17.1219 -17.0377 -16.9666 -16.9228 -14.2963 -13.3539 -11.7539 -7.2768 -3.4135 -2.9653 -2.8350 -2.4462 -2.0131 -1.9197 -1.7545 -1.5638 -0.4647 0.1769 2.0456 2.1996 2.4022 2.5799 3.1570 3.2528 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9990 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.1714 0.0000 ( 79435 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1945 -34.9980 -22.1880 -22.1751 -22.1585 -22.1514 -22.1461 -17.7363 -17.2423 -17.1326 -17.0414 -16.9709 -16.9257 -14.2624 -13.3329 -11.7442 -7.2879 -3.4849 -3.0950 -2.8757 -2.4485 -2.0906 -1.9259 -1.7499 -1.5660 -0.4093 0.1869 2.0634 2.1877 2.4225 2.6365 3.1500 3.3066 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9373 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.1894 0.0000 ( 79428 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1927 -34.9970 -22.1893 -22.1743 -22.1578 -22.1519 -22.1456 -17.7315 -17.2630 -17.1439 -17.0469 -16.9743 -16.9288 -14.2252 -13.3105 -11.7341 -7.3021 -3.5844 -3.2141 -2.8988 -2.4470 -2.1745 -1.9334 -1.7460 -1.5649 -0.3510 0.1825 2.0416 2.1836 2.4569 2.7221 3.1204 3.3733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4582 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.2075 0.0000 ( 79480 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1908 -34.9959 -22.1907 -22.1736 -22.1571 -22.1522 -22.1451 -17.7267 -17.2848 -17.1553 -17.0538 -16.9768 -16.9319 -14.1849 -13.2869 -11.7237 -7.3198 -3.7062 -3.3205 -2.9105 -2.4459 -2.2552 -1.9438 -1.7427 -1.5612 -0.2900 0.1637 1.9830 2.2067 2.4946 2.8212 3.0820 3.4476 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0345 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.2255 0.0000 ( 79499 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7109 -35.1888 -34.9948 -22.1922 -22.1729 -22.1567 -22.1523 -22.1445 -17.7222 -17.3074 -17.1666 -17.0619 -16.9788 -16.9351 -14.1416 -13.2622 -11.7131 -7.3414 -3.8412 -3.4164 -2.9166 -2.4580 -2.3168 -1.9567 -1.7404 -1.5557 -0.2266 0.1317 1.9126 2.2384 2.5365 2.9168 3.0483 3.5247 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.2436 0.0000 ( 79493 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1867 -34.9937 -22.1937 -22.1722 -22.1566 -22.1521 -22.1437 -17.7179 -17.3306 -17.1777 -17.0709 -16.9803 -16.9383 -14.0957 -13.2370 -11.7025 -7.3674 -3.9815 -3.5042 -2.9225 -2.5021 -2.3380 -1.9713 -1.7392 -1.5487 -0.1617 0.0887 1.8402 2.2703 2.5811 2.9619 3.0662 3.5865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.2616 0.0000 ( 79476 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1846 -34.9925 -22.1954 -22.1715 -22.1568 -22.1515 -22.1429 -17.7142 -17.3540 -17.1882 -17.0805 -16.9817 -16.9415 -14.0473 -13.2113 -11.6920 -7.3980 -4.1221 -3.5849 -2.9337 -2.5641 -2.3296 -1.9861 -1.7387 -1.5407 -0.0988 0.0402 1.7690 2.2995 2.6226 2.9497 3.1459 3.5909 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.2797 0.0000 ( 79513 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1825 -34.9913 -22.1971 -22.1709 -22.1573 -22.1507 -22.1420 -17.7112 -17.3773 -17.1981 -17.0905 -16.9830 -16.9446 -13.9967 -13.1856 -11.6817 -7.4336 -4.2596 -3.6588 -2.9553 -2.6216 -2.3113 -2.0000 -1.7386 -1.5320 -0.0686 0.0188 1.7007 2.3242 2.6504 2.9478 3.2264 3.5783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.2977 0.0000 ( 79523 PWs) bands (ev): -47.9351 -47.9350 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1803 -34.9901 -22.1988 -22.1703 -22.1578 -22.1498 -22.1410 -17.7091 -17.4002 -17.2072 -17.1006 -16.9843 -16.9477 -13.9442 -13.1601 -11.6717 -7.4740 -4.3922 -3.7257 -2.9915 -2.6647 -2.2912 -2.0116 -1.7380 -1.5229 -0.1162 0.0717 1.6359 2.3433 2.6560 2.9740 3.2921 3.5735 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.3157 0.0000 ( 79518 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1781 -34.9889 -22.2005 -22.1698 -22.1583 -22.1488 -22.1400 -17.7080 -17.4222 -17.2154 -17.1108 -16.9857 -16.9507 -13.8901 -13.1353 -11.6620 -7.5192 -4.5185 -3.7853 -3.0419 -2.6918 -2.2736 -2.0199 -1.7357 -1.5137 -0.1849 0.1438 1.5752 2.3560 2.6427 3.0245 3.3365 3.5844 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.3338 0.0000 ( 79512 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1760 -34.9877 -22.2023 -22.1694 -22.1589 -22.1478 -22.1390 -17.7081 -17.4432 -17.2227 -17.1208 -16.9872 -16.9536 -13.8348 -13.1115 -11.6528 -7.5687 -4.6379 -3.8372 -3.1017 -2.7067 -2.2610 -2.0253 -1.7300 -1.5046 -0.2583 0.2205 1.5187 2.3622 2.6201 3.0860 3.3616 3.6106 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0034 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.3518 0.0000 ( 79527 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1739 -34.9865 -22.2040 -22.1691 -22.1595 -22.1467 -22.1379 -17.7095 -17.4626 -17.2289 -17.1305 -16.9887 -16.9565 -13.7787 -13.0889 -11.6440 -7.6219 -4.7497 -3.8812 -3.1657 -2.7143 -2.2538 -2.0293 -1.7193 -1.4958 -0.3330 0.2997 1.4665 2.3623 2.5943 3.1451 3.3797 3.6442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2712 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.3699 0.0000 ( 79533 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1719 -34.9854 -22.2056 -22.1688 -22.1601 -22.1456 -22.1369 -17.7123 -17.4804 -17.2342 -17.1398 -16.9903 -16.9593 -13.7223 -13.0681 -11.6358 -7.6779 -4.8539 -3.9175 -3.2298 -2.7185 -2.2511 -2.0342 -1.7027 -1.4873 -0.4072 0.3808 1.4186 2.3571 2.5679 3.1891 3.4044 3.6793 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9297 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.3879 0.0000 ( 79523 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1700 -34.9844 -22.2072 -22.1685 -22.1606 -22.1444 -22.1360 -17.7164 -17.4963 -17.2385 -17.1487 -16.9919 -16.9620 -13.6660 -13.0493 -11.6281 -7.7357 -4.9500 -3.9463 -3.2917 -2.7216 -2.2508 -2.0420 -1.6803 -1.4795 -0.4793 0.4632 1.3748 2.3481 2.5412 3.2122 3.4377 3.7169 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9998 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.4059 0.0000 ( 79506 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1682 -34.9834 -22.2087 -22.1684 -22.1611 -22.1433 -22.1351 -17.7216 -17.5103 -17.2419 -17.1569 -16.9935 -16.9646 -13.6104 -13.0329 -11.6210 -7.7942 -5.0382 -3.9679 -3.3498 -2.7251 -2.2513 -2.0534 -1.6534 -1.4722 -0.5482 0.5465 1.3352 2.3364 2.5137 3.2199 3.4676 3.7619 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.4240 0.0000 ( 79540 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1665 -34.9825 -22.2101 -22.1682 -22.1616 -22.1422 -22.1342 -17.7277 -17.5223 -17.2445 -17.1645 -16.9950 -16.9672 -13.5561 -13.0190 -11.6145 -7.8519 -5.1181 -3.9832 -3.4031 -2.7297 -2.2513 -2.0679 -1.6238 -1.4656 -0.6130 0.6301 1.2996 2.3228 2.4851 3.2198 3.4830 3.8145 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.4420 0.0000 ( 79540 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1649 -34.9816 -22.2114 -22.1681 -22.1620 -22.1412 -22.1335 -17.7344 -17.5324 -17.2465 -17.1713 -16.9963 -16.9696 -13.5037 -13.0080 -11.6087 -7.9075 -5.1898 -3.9929 -3.4510 -2.7357 -2.2504 -2.0845 -1.5936 -1.4595 -0.6727 0.7134 1.2680 2.3072 2.4559 3.2164 3.4833 3.8645 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.4601 0.0000 ( 79552 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1635 -34.9809 -22.2125 -22.1681 -22.1624 -22.1402 -22.1329 -17.7413 -17.5409 -17.2478 -17.1773 -16.9976 -16.9719 -13.4541 -12.9999 -11.6035 -7.9597 -5.2530 -3.9981 -3.4931 -2.7431 -2.2483 -2.1019 -1.5644 -1.4540 -0.7266 0.7951 1.2405 2.2888 2.4274 3.2117 3.4738 3.8996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.4781 0.0000 ( 79569 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1623 -34.9802 -22.2136 -22.1680 -22.1628 -22.1393 -22.1323 -17.7480 -17.5478 -17.2487 -17.1825 -16.9987 -16.9740 -13.4079 -12.9948 -11.5989 -8.0072 -5.3076 -3.9998 -3.5291 -2.7514 -2.2453 -2.1189 -1.5377 -1.4489 -0.7742 0.8739 1.2170 2.2660 2.4019 3.2062 3.4598 3.9181 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.4962 0.0000 ( 79559 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1613 -34.9796 -22.2144 -22.1680 -22.1631 -22.1385 -22.1319 -17.7542 -17.5533 -17.2494 -17.1867 -16.9995 -16.9758 -13.3662 -12.9924 -11.5951 -8.0488 -5.3535 -3.9992 -3.5590 -2.7600 -2.2420 -2.1345 -1.5148 -1.4440 -0.8148 0.9474 1.1979 2.2381 2.3815 3.2006 3.4452 3.9264 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.5142 0.0000 ( 79582 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1604 -34.9792 -22.2151 -22.1680 -22.1633 -22.1379 -22.1315 -17.7595 -17.5576 -17.2498 -17.1901 -17.0002 -16.9774 -13.3301 -12.9923 -11.5920 -8.0835 -5.3904 -3.9973 -3.5826 -2.7681 -2.2388 -2.1476 -1.4966 -1.4392 -0.8479 1.0125 1.1838 2.2068 2.3668 3.1951 3.4324 3.9297 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.5322 0.0000 ( 79576 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1598 -34.9788 -22.2157 -22.1680 -22.1635 -22.1374 -22.1312 -17.7637 -17.5607 -17.2500 -17.1926 -17.0008 -16.9786 -13.3010 -12.9938 -11.5897 -8.1103 -5.4183 -3.9950 -3.6001 -2.7751 -2.2364 -2.1576 -1.4836 -1.4344 -0.8732 1.0646 1.1757 2.1761 2.3572 3.1903 3.4226 3.9309 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.5503 0.0000 ( 79582 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1594 -34.9786 -22.2160 -22.1680 -22.1636 -22.1370 -22.1311 -17.7666 -17.5628 -17.2502 -17.1942 -17.0011 -16.9795 -13.2803 -12.9957 -11.5881 -8.1286 -5.4369 -3.9930 -3.6117 -2.7802 -2.2348 -2.1643 -1.4756 -1.4303 -0.8902 1.0980 1.1751 2.1514 2.3514 3.1867 3.4162 3.9312 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0781 0.5683 0.0000 ( 79590 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1592 -34.9785 -22.2162 -22.1680 -22.1637 -22.1369 -22.1310 -17.7681 -17.5638 -17.2502 -17.1950 -17.0013 -16.9799 -13.2695 -12.9971 -11.5873 -8.1378 -5.4463 -3.9919 -3.6174 -2.7829 -2.2341 -2.1675 -1.4719 -1.4279 -0.8988 1.1118 1.1790 2.1376 2.3488 3.1847 3.4130 3.9313 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.1624 0.0000 ( 79441 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1946 -34.9981 -22.1879 -22.1752 -22.1585 -22.1514 -22.1461 -17.7365 -17.2405 -17.1337 -17.0401 -16.9705 -16.9260 -14.2642 -13.3341 -11.7448 -7.2872 -3.4721 -3.0925 -2.8864 -2.4483 -2.0388 -1.9652 -1.7495 -1.5711 -0.4118 0.1905 2.0929 2.1750 2.4400 2.5959 3.1460 3.2990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9456 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.1804 0.0000 ( 79423 PWs) bands (ev): -47.9351 -47.9351 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1929 -34.9971 -22.1890 -22.1746 -22.1578 -22.1519 -22.1457 -17.7319 -17.2594 -17.1462 -17.0440 -16.9736 -16.9295 -14.2289 -13.3127 -11.7351 -7.3004 -3.5523 -3.2263 -2.9103 -2.4452 -2.1044 -1.9861 -1.7450 -1.5728 -0.3557 0.1927 2.0990 2.1580 2.4947 2.6421 3.1085 3.3588 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.5110 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.1985 0.0000 ( 79418 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1911 -34.9961 -22.1903 -22.1739 -22.1570 -22.1524 -22.1451 -17.7273 -17.2795 -17.1590 -17.0493 -16.9761 -16.9331 -14.1903 -13.2900 -11.7250 -7.3169 -3.6540 -3.3499 -2.9212 -2.4387 -2.1859 -2.0000 -1.7412 -1.5704 -0.2966 0.1829 2.0323 2.2038 2.5371 2.7209 3.0609 3.4269 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0512 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.2165 0.0000 ( 79447 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1891 -34.9950 -22.1917 -22.1733 -22.1565 -22.1526 -22.1445 -17.7228 -17.3005 -17.1716 -17.0558 -16.9779 -16.9367 -14.1487 -13.2661 -11.7147 -7.3370 -3.7742 -3.4579 -2.9264 -2.4336 -2.2662 -2.0146 -1.7383 -1.5653 -0.2347 0.1612 1.9585 2.2529 2.5743 2.8110 3.0159 3.4994 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.2345 0.0000 ( 79476 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1871 -34.9939 -22.1931 -22.1727 -22.1562 -22.1526 -22.1438 -17.7185 -17.3222 -17.1839 -17.0635 -16.9794 -16.9403 -14.1044 -13.2415 -11.7043 -7.3613 -3.9065 -3.5513 -2.9308 -2.4470 -2.3235 -2.0305 -1.7364 -1.5582 -0.1707 0.1288 1.8848 2.2993 2.6139 2.8739 3.0042 3.5677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.2526 0.0000 ( 79478 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1851 -34.9927 -22.1946 -22.1721 -22.1562 -22.1523 -22.1430 -17.7146 -17.3445 -17.1956 -17.0720 -16.9808 -16.9438 -14.0574 -13.2164 -11.6939 -7.3900 -4.0438 -3.6332 -2.9392 -2.4987 -2.3344 -2.0467 -1.7357 -1.5499 -0.1058 0.0882 1.8130 2.3409 2.6543 2.8691 3.0662 3.5960 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.2706 0.0000 ( 79500 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1829 -34.9915 -22.1962 -22.1715 -22.1566 -22.1516 -22.1421 -17.7114 -17.3670 -17.2064 -17.0812 -16.9820 -16.9472 -14.0082 -13.1910 -11.6837 -7.4233 -4.1811 -3.7058 -2.9562 -2.5637 -2.3208 -2.0614 -1.7359 -1.5409 -0.0483 0.0489 1.7443 2.3768 2.6817 2.8575 3.1514 3.5861 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.2887 0.0000 ( 79525 PWs) bands (ev): -47.9351 -47.9350 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1808 -34.9903 -22.1979 -22.1710 -22.1571 -22.1508 -22.1411 -17.7089 -17.3893 -17.2164 -17.0908 -16.9834 -16.9505 -13.9569 -13.1658 -11.6737 -7.4614 -4.3152 -3.7702 -2.9863 -2.6202 -2.3021 -2.0727 -1.7364 -1.5314 -0.0504 0.0646 1.6791 2.4062 2.6767 2.8818 3.2306 3.5758 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.3067 0.0000 ( 79543 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1787 -34.9892 -22.1995 -22.1705 -22.1576 -22.1499 -22.1401 -17.7073 -17.4111 -17.2253 -17.1006 -16.9848 -16.9536 -13.9039 -13.1410 -11.6640 -7.5042 -4.4441 -3.8269 -3.0318 -2.6613 -2.2857 -2.0789 -1.7363 -1.5219 -0.1054 0.1303 1.6181 2.4289 2.6477 2.9359 3.2941 3.5775 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.3248 0.0000 ( 79535 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1766 -34.9880 -22.2012 -22.1701 -22.1582 -22.1489 -22.1391 -17.7068 -17.4320 -17.2331 -17.1105 -16.9864 -16.9566 -13.8495 -13.1169 -11.6546 -7.5513 -4.5666 -3.8760 -3.0903 -2.6875 -2.2750 -2.0793 -1.7341 -1.5124 -0.1710 0.2050 1.5613 2.4444 2.6128 2.9996 3.3377 3.5962 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.3428 0.0000 ( 79507 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1745 -34.9868 -22.2028 -22.1698 -22.1587 -22.1478 -22.1380 -17.7074 -17.4518 -17.2398 -17.1204 -16.9880 -16.9595 -13.7941 -13.0941 -11.6458 -7.6023 -4.6819 -3.9176 -3.1566 -2.7031 -2.2707 -2.0756 -1.7284 -1.5032 -0.2400 0.2831 1.5088 2.4513 2.5802 3.0604 3.3672 3.6288 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.3608 0.0000 ( 79523 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1724 -34.9857 -22.2044 -22.1695 -22.1593 -22.1467 -22.1371 -17.7093 -17.4701 -17.2455 -17.1300 -16.9897 -16.9623 -13.7382 -13.0727 -11.6374 -7.6564 -4.7896 -3.9519 -3.2257 -2.7125 -2.2709 -2.0717 -1.7174 -1.4945 -0.3101 0.3634 1.4608 2.4481 2.5543 3.1089 3.3947 3.6669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1049 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.3789 0.0000 ( 79517 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1705 -34.9847 -22.2060 -22.1693 -22.1598 -22.1456 -22.1361 -17.7125 -17.4867 -17.2501 -17.1393 -16.9914 -16.9650 -13.6821 -13.0532 -11.6295 -7.7127 -4.8894 -3.9792 -3.2941 -2.7187 -2.2732 -2.0712 -1.7004 -1.4863 -0.3795 0.4451 1.4170 2.4345 2.5362 3.1399 3.4265 3.7065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7571 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.3969 0.0000 ( 79485 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1687 -34.9836 -22.2075 -22.1691 -22.1604 -22.1444 -22.1352 -17.7168 -17.5015 -17.2538 -17.1481 -16.9930 -16.9676 -13.6265 -13.0358 -11.6221 -7.7701 -4.9811 -3.9999 -3.3595 -2.7238 -2.2758 -2.0758 -1.6779 -1.4787 -0.4470 0.5279 1.3775 2.4133 2.5234 3.1553 3.4568 3.7499 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9953 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.4150 0.0000 ( 79520 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1669 -34.9827 -22.2089 -22.1690 -22.1608 -22.1433 -22.1345 -17.7221 -17.5144 -17.2566 -17.1563 -16.9945 -16.9702 -13.5718 -13.0209 -11.6154 -7.8274 -5.0646 -4.0147 -3.4204 -2.7287 -2.2776 -2.0855 -1.6513 -1.4718 -0.5114 0.6112 1.3420 2.3882 2.5123 3.1613 3.4753 3.7998 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.4330 0.0000 ( 79529 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1653 -34.9818 -22.2102 -22.1689 -22.1613 -22.1422 -22.1338 -17.7281 -17.5254 -17.2587 -17.1638 -16.9958 -16.9728 -13.5188 -13.0087 -11.6093 -7.8833 -5.1397 -4.0244 -3.4759 -2.7338 -2.2783 -2.0991 -1.6226 -1.4654 -0.5717 0.6942 1.3105 2.3608 2.5012 3.1630 3.4775 3.8526 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.4511 0.0000 ( 79562 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1639 -34.9810 -22.2113 -22.1688 -22.1617 -22.1412 -22.1332 -17.7345 -17.5347 -17.2602 -17.1706 -16.9969 -16.9753 -13.4680 -12.9993 -11.6038 -7.9365 -5.2064 -4.0298 -3.5253 -2.7394 -2.2781 -2.1149 -1.5937 -1.4595 -0.6270 0.7761 1.2830 2.3313 2.4900 3.1632 3.4664 3.8985 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.4691 0.0000 ( 79550 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1626 -34.9803 -22.2124 -22.1688 -22.1621 -22.1402 -22.1326 -17.7409 -17.5424 -17.2613 -17.1765 -16.9978 -16.9777 -13.4203 -12.9929 -11.5989 -7.9856 -5.2646 -4.0321 -3.5682 -2.7452 -2.2776 -2.1310 -1.5665 -1.4541 -0.6765 0.8554 1.2596 2.2995 2.4792 3.1633 3.4472 3.9306 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.4871 0.0000 ( 79570 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1615 -34.9797 -22.2133 -22.1688 -22.1624 -22.1393 -22.1322 -17.7470 -17.5486 -17.2619 -17.1816 -16.9984 -16.9799 -13.3766 -12.9893 -11.5948 -8.0295 -5.3142 -4.0321 -3.6043 -2.7509 -2.2775 -2.1458 -1.5423 -1.4490 -0.7197 0.9304 1.2404 2.2656 2.4695 3.1636 3.4248 3.9499 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.5052 0.0000 ( 79587 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1605 -34.9792 -22.2140 -22.1688 -22.1626 -22.1385 -22.1319 -17.7525 -17.5535 -17.2624 -17.1857 -16.9988 -16.9819 -13.3378 -12.9883 -11.5914 -8.0671 -5.3549 -4.0308 -3.6336 -2.7563 -2.2784 -2.1579 -1.5221 -1.4440 -0.7558 0.9983 1.2258 2.2308 2.4615 3.1642 3.4029 3.9610 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.5232 0.0000 ( 79595 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1598 -34.9788 -22.2146 -22.1687 -22.1628 -22.1378 -22.1317 -17.7570 -17.5572 -17.2626 -17.1889 -16.9990 -16.9837 -13.3052 -12.9892 -11.5887 -8.0974 -5.3867 -4.0289 -3.6560 -2.7608 -2.2805 -2.1666 -1.5068 -1.4392 -0.7844 1.0552 1.2167 2.1974 2.4553 3.1648 3.3840 3.9676 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.5413 0.0000 ( 79572 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1593 -34.9785 -22.2151 -22.1687 -22.1630 -22.1374 -22.1316 -17.7604 -17.5597 -17.2628 -17.1911 -16.9991 -16.9850 -13.2802 -12.9911 -11.5867 -8.1196 -5.4096 -4.0273 -3.6719 -2.7643 -2.2830 -2.1721 -1.4963 -1.4349 -0.8052 1.0966 1.2140 2.1691 2.4510 3.1653 3.3698 3.9716 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.5593 0.0000 ( 79594 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1590 -34.9784 -22.2153 -22.1687 -22.1631 -22.1371 -22.1315 -17.7624 -17.5612 -17.2629 -17.1925 -16.9990 -16.9859 -13.2644 -12.9930 -11.5856 -8.1331 -5.4233 -4.0261 -3.6812 -2.7665 -2.2851 -2.1750 -1.4903 -1.4319 -0.8178 1.1195 1.2165 2.1498 2.4485 3.1656 3.3611 3.9738 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0938 0.5774 0.0000 ( 79598 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1588 -34.9783 -22.2154 -22.1687 -22.1631 -22.1370 -22.1315 -17.7632 -17.5617 -17.2629 -17.1929 -16.9990 -16.9862 -13.2589 -12.9937 -11.5852 -8.1377 -5.4279 -4.0257 -3.6843 -2.7673 -2.2859 -2.1759 -1.4884 -1.4308 -0.8220 1.1262 1.2186 2.1429 2.4476 3.1657 3.3581 3.9745 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.1894 0.0000 ( 79423 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1911 -34.9961 -22.1901 -22.1741 -22.1570 -22.1524 -22.1452 -17.7275 -17.2776 -17.1603 -17.0477 -16.9758 -16.9335 -14.1921 -13.2910 -11.7254 -7.3159 -3.6329 -3.3635 -2.9248 -2.4371 -2.1445 -2.0361 -1.7407 -1.5736 -0.2988 0.1895 2.0531 2.2000 2.5720 2.6653 3.0533 3.4200 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0581 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.2075 0.0000 ( 79447 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7244 -47.7244 -47.7110 -47.7109 -35.1893 -34.9951 -22.1914 -22.1736 -22.1563 -22.1528 -22.1445 -17.7231 -17.2967 -17.1744 -17.0527 -16.9774 -16.9376 -14.1523 -13.2681 -11.7155 -7.3349 -3.7288 -3.4912 -2.9309 -2.4260 -2.2130 -2.0668 -1.7372 -1.5703 -0.2388 0.1767 1.9863 2.2592 2.6239 2.7254 2.9970 3.4866 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.2255 0.0000 ( 79469 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7109 -35.1874 -34.9940 -22.1927 -22.1731 -22.1558 -22.1531 -22.1438 -17.7188 -17.3167 -17.1882 -17.0588 -16.9788 -16.9418 -14.1096 -13.2443 -11.7054 -7.3576 -3.8421 -3.6001 -2.9351 -2.4184 -2.2877 -2.0889 -1.7348 -1.5641 -0.1762 0.1547 1.9172 2.3178 2.6583 2.7970 2.9581 3.5531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.2436 0.0000 ( 79483 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1854 -34.9929 -22.1941 -22.1726 -22.1556 -22.1530 -22.1430 -17.7149 -17.3374 -17.2013 -17.0660 -16.9801 -16.9458 -14.0642 -13.2198 -11.6952 -7.3846 -3.9694 -3.6895 -2.9418 -2.4403 -2.3318 -2.1082 -1.7337 -1.5562 -0.1117 0.1243 1.8489 2.3719 2.6948 2.8099 2.9870 3.5972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.2616 0.0000 ( 79497 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1833 -34.9917 -22.1956 -22.1721 -22.1559 -22.1525 -22.1421 -17.7115 -17.3586 -17.2134 -17.0740 -16.9813 -16.9496 -14.0164 -13.1949 -11.6851 -7.4159 -4.1031 -3.7639 -2.9551 -2.5037 -2.3282 -2.1248 -1.7337 -1.5473 -0.0483 0.0891 1.7826 2.4191 2.7291 2.7810 3.0694 3.5951 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.2797 0.0000 ( 79515 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1812 -34.9906 -22.1971 -22.1716 -22.1563 -22.1517 -22.1411 -17.7087 -17.3798 -17.2245 -17.0827 -16.9827 -16.9532 -13.9665 -13.1700 -11.6752 -7.4519 -4.2370 -3.8274 -2.9794 -2.5712 -2.3112 -2.1368 -1.7347 -1.5378 -0.0085 0.0727 1.7193 2.4583 2.7044 2.8104 3.1575 3.5827 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.2977 0.0000 ( 79530 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1791 -34.9894 -22.1986 -22.1712 -22.1568 -22.1509 -22.1401 -17.7067 -17.4009 -17.2344 -17.0919 -16.9843 -16.9565 -13.9147 -13.1454 -11.6655 -7.4923 -4.3675 -3.8820 -3.0184 -2.6267 -2.2963 -2.1411 -1.7360 -1.5280 -0.0384 0.1221 1.6594 2.4898 2.6563 2.8698 3.2368 3.5773 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.3157 0.0000 ( 79542 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1770 -34.9882 -22.2002 -22.1708 -22.1574 -22.1499 -22.1391 -17.7057 -17.4215 -17.2431 -17.1014 -16.9861 -16.9595 -13.8613 -13.1214 -11.6561 -7.5371 -4.4926 -3.9287 -3.0726 -2.6666 -2.2889 -2.1359 -1.7364 -1.5184 -0.0931 0.1936 1.6035 2.5145 2.6092 2.9329 3.3000 3.5864 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.3338 0.0000 ( 79528 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1749 -34.9871 -22.2018 -22.1705 -22.1579 -22.1489 -22.1381 -17.7057 -17.4412 -17.2505 -17.1110 -16.9880 -16.9623 -13.8068 -13.0984 -11.6471 -7.5858 -4.6110 -3.9680 -3.1383 -2.6929 -2.2890 -2.1236 -1.7346 -1.5090 -0.1543 0.2703 1.5517 2.5310 2.5675 2.9921 3.3462 3.6125 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.3518 0.0000 ( 79540 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1729 -34.9860 -22.2033 -22.1703 -22.1585 -22.1479 -22.1371 -17.7068 -17.4597 -17.2568 -17.1207 -16.9900 -16.9650 -13.7515 -13.0766 -11.6386 -7.6378 -4.7221 -4.0003 -3.2103 -2.7097 -2.2934 -2.1098 -1.7288 -1.5000 -0.2184 0.3496 1.5042 2.5161 2.5560 3.0407 3.3826 3.6504 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.3699 0.0000 ( 79529 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1709 -34.9849 -22.2048 -22.1701 -22.1590 -22.1468 -22.1362 -17.7091 -17.4768 -17.2620 -17.1301 -16.9920 -16.9675 -13.6959 -13.0565 -11.6306 -7.6923 -4.8254 -4.0260 -3.2840 -2.7209 -2.2989 -2.0996 -1.7176 -1.4916 -0.2836 0.4306 1.4609 2.4801 2.5645 3.0742 3.4174 3.6927 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0228 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.3879 0.0000 ( 79502 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1691 -34.9839 -22.2062 -22.1699 -22.1595 -22.1456 -22.1354 -17.7125 -17.4922 -17.2661 -17.1393 -16.9939 -16.9700 -13.6405 -13.0384 -11.6230 -7.7484 -4.9205 -4.0456 -3.3561 -2.7290 -2.3037 -2.0958 -1.7004 -1.4837 -0.3482 0.5128 1.4218 2.4449 2.5713 3.0929 3.4502 3.7369 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4271 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.4059 0.0000 ( 79504 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1673 -34.9829 -22.2076 -22.1698 -22.1600 -22.1445 -22.1346 -17.7169 -17.5059 -17.2693 -17.1480 -16.9956 -16.9725 -13.5857 -13.0225 -11.6161 -7.8048 -5.0074 -4.0597 -3.4245 -2.7352 -2.3074 -2.0989 -1.6779 -1.4765 -0.4109 0.5956 1.3869 2.4115 2.5751 3.1014 3.4736 3.7849 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9429 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.4240 0.0000 ( 79531 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1657 -34.9820 -22.2089 -22.1697 -22.1605 -22.1434 -22.1340 -17.7220 -17.5177 -17.2717 -17.1561 -16.9972 -16.9750 -13.5322 -13.0092 -11.6097 -7.8605 -5.0859 -4.0692 -3.4878 -2.7402 -2.3100 -2.1078 -1.6519 -1.4699 -0.4707 0.6784 1.3559 2.3791 2.5760 3.1045 3.4813 3.8370 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9994 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.4420 0.0000 ( 79534 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1642 -34.9812 -22.2101 -22.1697 -22.1609 -22.1422 -22.1334 -17.7278 -17.5278 -17.2735 -17.1635 -16.9984 -16.9774 -13.4807 -12.9987 -11.6039 -7.9140 -5.1560 -4.0748 -3.5450 -2.7443 -2.3122 -2.1204 -1.6243 -1.4638 -0.5265 0.7601 1.3289 2.3472 2.5746 3.1059 3.4732 3.8878 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.4601 0.0000 ( 79567 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1628 -34.9805 -22.2111 -22.1696 -22.1612 -22.1412 -22.1329 -17.7337 -17.5363 -17.2747 -17.1701 -16.9993 -16.9799 -13.4318 -12.9910 -11.5988 -7.9642 -5.2175 -4.0774 -3.5955 -2.7474 -2.3148 -2.1343 -1.5972 -1.4583 -0.5773 0.8398 1.3059 2.3148 2.5715 3.1076 3.4535 3.9302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.4781 0.0000 ( 79574 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1616 -34.9798 -22.2120 -22.1696 -22.1616 -22.1402 -22.1326 -17.7395 -17.5432 -17.2756 -17.1758 -16.9999 -16.9823 -13.3863 -12.9862 -11.5944 -8.0099 -5.2705 -4.0780 -3.6387 -2.7496 -2.3187 -2.1475 -1.5720 -1.4531 -0.6224 0.9156 1.2869 2.2816 2.5675 3.1105 3.4272 3.9611 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.4962 0.0000 ( 79600 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1606 -34.9793 -22.2128 -22.1696 -22.1618 -22.1393 -22.1323 -17.7449 -17.5487 -17.2762 -17.1806 -17.0001 -16.9847 -13.3452 -12.9841 -11.5906 -8.0499 -5.3148 -4.0773 -3.6746 -2.7508 -2.3244 -2.1584 -1.5501 -1.4483 -0.6610 0.9854 1.2724 2.2481 2.5633 3.1146 3.3988 3.9822 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.5142 0.0000 ( 79600 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7106 -35.1598 -34.9788 -22.2135 -22.1696 -22.1621 -22.1385 -22.1322 -17.7495 -17.5530 -17.2766 -17.1845 -17.0000 -16.9869 -13.3096 -12.9843 -11.5876 -8.0832 -5.3503 -4.0761 -3.7029 -2.7512 -2.3316 -2.1661 -1.5324 -1.4437 -0.6927 1.0459 1.2629 2.2156 2.5594 3.1196 3.3718 3.9963 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.5322 0.0000 ( 79582 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7106 -35.1592 -34.9785 -22.2140 -22.1696 -22.1622 -22.1378 -22.1321 -17.7532 -17.5561 -17.2768 -17.1874 -16.9997 -16.9888 -13.2809 -12.9860 -11.5853 -8.1089 -5.3770 -4.0749 -3.7239 -2.7511 -2.3391 -2.1710 -1.5192 -1.4396 -0.7169 1.0933 1.2589 2.1865 2.5562 3.1247 3.3490 4.0058 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.5503 0.0000 ( 79570 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7106 -35.1588 -34.9783 -22.2143 -22.1696 -22.1623 -22.1374 -22.1321 -17.7558 -17.5582 -17.2770 -17.1893 -16.9992 -16.9904 -13.2604 -12.9881 -11.5837 -8.1265 -5.3949 -4.0739 -3.7376 -2.7507 -2.3452 -2.1736 -1.5107 -1.4364 -0.7332 1.1242 1.2601 2.1641 2.5540 3.1290 3.3325 4.0117 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1094 0.5683 0.0000 ( 79583 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7106 -35.1586 -34.9782 -22.2144 -22.1696 -22.1624 -22.1371 -22.1321 -17.7571 -17.5592 -17.2770 -17.1903 -16.9988 -16.9913 -13.2497 -12.9896 -11.5830 -8.1354 -5.4038 -4.0734 -3.7445 -2.7504 -2.3487 -2.1747 -1.5066 -1.4346 -0.7415 1.1386 1.2629 2.1518 2.5529 3.1315 3.3238 4.0146 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2165 0.0000 ( 79443 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7109 -35.1874 -34.9940 -22.1926 -22.1732 -22.1556 -22.1533 -22.1438 -17.7190 -17.3148 -17.1897 -17.0572 -16.9786 -16.9423 -14.1113 -13.2452 -11.7057 -7.3564 -3.8121 -3.6252 -2.9364 -2.4114 -2.2615 -2.1202 -1.7343 -1.5661 -0.1780 0.1636 1.9292 2.3243 2.6924 2.7531 2.9399 3.5480 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2345 0.0000 ( 79457 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1855 -34.9930 -22.1938 -22.1728 -22.1552 -22.1535 -22.1430 -17.7151 -17.3336 -17.2044 -17.0628 -16.9797 -16.9469 -14.0676 -13.2215 -11.6959 -7.3819 -3.9119 -3.7386 -2.9427 -2.4064 -2.3184 -2.1560 -1.7326 -1.5594 -0.1148 0.1434 1.8694 2.3891 2.7118 2.8068 2.9190 3.5961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2526 0.0000 ( 79475 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1835 -34.9918 -22.1951 -22.1724 -22.1552 -22.1533 -22.1421 -17.7116 -17.3529 -17.2182 -17.0694 -16.9809 -16.9513 -14.0214 -13.1973 -11.6860 -7.4115 -4.0311 -3.8251 -2.9537 -2.4504 -2.3327 -2.1808 -1.7324 -1.5511 -0.0508 0.1177 1.8097 2.4482 2.7092 2.8117 2.9825 3.6027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2706 0.0000 ( 79505 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1815 -34.9907 -22.1965 -22.1721 -22.1555 -22.1526 -22.1411 -17.7087 -17.3727 -17.2308 -17.0769 -16.9823 -16.9553 -13.9729 -13.1729 -11.6762 -7.4455 -4.1603 -3.8918 -2.9732 -2.5227 -2.3174 -2.1969 -1.7335 -1.5419 0.0055 0.0951 1.7514 2.4962 2.6851 2.8230 3.0752 3.5910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2887 0.0000 ( 79498 PWs) bands (ev): -47.9351 -47.9350 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1794 -34.9896 -22.1979 -22.1717 -22.1560 -22.1518 -22.1401 -17.7064 -17.3926 -17.2420 -17.0850 -16.9841 -16.9588 -13.9224 -13.1487 -11.6666 -7.4838 -4.2906 -3.9461 -3.0053 -2.5907 -2.3037 -2.2009 -1.7354 -1.5323 0.0100 0.1202 1.6955 2.5272 2.6541 2.8564 3.1665 3.5818 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.3067 0.0000 ( 79530 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1773 -34.9884 -22.1994 -22.1715 -22.1566 -22.1510 -22.1391 -17.7049 -17.4123 -17.2519 -17.0938 -16.9863 -16.9619 -13.8703 -13.1248 -11.6572 -7.5263 -4.4173 -3.9913 -3.0526 -2.6453 -2.3013 -2.1895 -1.7375 -1.5227 -0.0300 0.1863 1.6425 2.5336 2.6352 2.9016 3.2475 3.5831 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.3248 0.0000 ( 79524 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1753 -34.9873 -22.2008 -22.1712 -22.1571 -22.1500 -22.1381 -17.7043 -17.4314 -17.2604 -17.1029 -16.9887 -16.9646 -13.8168 -13.1017 -11.6482 -7.5727 -4.5382 -4.0289 -3.1143 -2.6848 -2.3073 -2.1680 -1.7386 -1.5132 -0.0813 0.2610 1.5929 2.5155 2.6345 2.9494 3.3134 3.6000 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.3428 0.0000 ( 79532 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1733 -34.9862 -22.2023 -22.1710 -22.1576 -22.1490 -22.1372 -17.7047 -17.4497 -17.2676 -17.1122 -16.9913 -16.9670 -13.7623 -13.0798 -11.6396 -7.6225 -4.6522 -4.0597 -3.1859 -2.7118 -2.3158 -2.1450 -1.7370 -1.5040 -0.1375 0.3392 1.5471 2.4868 2.6413 2.9917 3.3649 3.6329 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.3608 0.0000 ( 79518 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1713 -34.9851 -22.2037 -22.1708 -22.1581 -22.1480 -22.1363 -17.7062 -17.4669 -17.2735 -17.1215 -16.9940 -16.9692 -13.7073 -13.0593 -11.6314 -7.6750 -4.7587 -4.0842 -3.2625 -2.7302 -2.3237 -2.1258 -1.7312 -1.4954 -0.1964 0.4194 1.5052 2.4564 2.6488 3.0230 3.4079 3.6756 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.3789 0.0000 ( 79543 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1694 -34.9841 -22.2051 -22.1707 -22.1586 -22.1469 -22.1355 -17.7087 -17.4827 -17.2783 -17.1307 -16.9965 -16.9713 -13.6523 -13.0406 -11.6237 -7.7294 -4.8570 -4.1031 -3.3397 -2.7430 -2.3301 -2.1136 -1.7197 -1.4874 -0.2564 0.5009 1.4673 2.4267 2.6552 3.0416 3.4458 3.7219 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0029 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.3969 0.0000 ( 79534 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1677 -34.9831 -22.2064 -22.1706 -22.1591 -22.1457 -22.1347 -17.7121 -17.4969 -17.2821 -17.1397 -16.9987 -16.9735 -13.5976 -13.0239 -11.6166 -7.7846 -4.9472 -4.1169 -3.4146 -2.7518 -2.3349 -2.1094 -1.7025 -1.4800 -0.3160 0.5832 1.4334 2.3981 2.6602 3.0499 3.4755 3.7699 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1386 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.4150 0.0000 ( 79520 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1660 -34.9822 -22.2076 -22.1706 -22.1596 -22.1446 -22.1341 -17.7164 -17.5095 -17.2850 -17.1481 -17.0007 -16.9756 -13.5440 -13.0097 -11.6100 -7.8395 -5.0289 -4.1264 -3.4852 -2.7577 -2.3389 -2.1125 -1.6803 -1.4732 -0.3740 0.6655 1.4034 2.3704 2.6637 3.0520 3.4909 3.8203 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7058 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.4330 0.0000 ( 79524 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1644 -34.9813 -22.2087 -22.1706 -22.1600 -22.1434 -22.1336 -17.7213 -17.5204 -17.2872 -17.1560 -17.0024 -16.9778 -13.4919 -12.9981 -11.6040 -7.8929 -5.1021 -4.1324 -3.5501 -2.7609 -2.3428 -2.1209 -1.6551 -1.4671 -0.4291 0.7471 1.3774 2.3430 2.6656 3.0516 3.4897 3.8714 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9816 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.4511 0.0000 ( 79549 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1630 -34.9806 -22.2098 -22.1706 -22.1603 -22.1423 -22.1332 -17.7265 -17.5296 -17.2888 -17.1632 -17.0037 -16.9801 -13.4421 -12.9893 -11.5986 -7.9437 -5.1668 -4.1357 -3.6083 -2.7617 -2.3480 -2.1321 -1.6288 -1.4616 -0.4802 0.8268 1.3552 2.3151 2.6662 3.0513 3.4742 3.9185 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9998 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.4691 0.0000 ( 79565 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1618 -34.9799 -22.2107 -22.1706 -22.1607 -22.1412 -22.1329 -17.7318 -17.5372 -17.2900 -17.1696 -17.0046 -16.9823 -13.3952 -12.9833 -11.5939 -7.9905 -5.2229 -4.1370 -3.6592 -2.7602 -2.3554 -2.1436 -1.6033 -1.4566 -0.5265 0.9031 1.3369 2.2866 2.6655 3.0525 3.4489 3.9577 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.4871 0.0000 ( 79588 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7106 -35.1607 -34.9793 -22.2115 -22.1706 -22.1609 -22.1402 -22.1327 -17.7369 -17.5434 -17.2909 -17.1750 -17.0051 -16.9845 -13.3523 -12.9801 -11.5898 -8.0324 -5.2704 -4.1371 -3.7023 -2.7565 -2.3655 -2.1535 -1.5801 -1.4520 -0.5671 0.9742 1.3228 2.2574 2.6640 3.0557 3.4187 3.9880 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.5052 0.0000 ( 79600 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7106 -35.1598 -34.9788 -22.2122 -22.1706 -22.1612 -22.1392 -22.1326 -17.7415 -17.5483 -17.2915 -17.1795 -17.0054 -16.9866 -13.3141 -12.9794 -11.5864 -8.0682 -5.3094 -4.1367 -3.7374 -2.7513 -2.3779 -2.1609 -1.5603 -1.4478 -0.6013 1.0373 1.3133 2.2284 2.6620 3.0607 3.3879 4.0104 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.5232 0.0000 ( 79600 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7106 -35.1591 -34.9784 -22.2127 -22.1706 -22.1614 -22.1384 -22.1326 -17.7453 -17.5520 -17.2919 -17.1831 -17.0053 -16.9884 -13.2821 -12.9806 -11.5838 -8.0970 -5.3397 -4.1361 -3.7645 -2.7452 -2.3913 -2.1657 -1.5445 -1.4441 -0.6286 1.0892 1.3088 2.2012 2.6599 3.0667 3.3599 4.0265 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.5413 0.0000 ( 79588 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7106 -35.1586 -34.9782 -22.2131 -22.1706 -22.1615 -22.1378 -22.1326 -17.7482 -17.5546 -17.2922 -17.1856 -17.0052 -16.9899 -13.2574 -12.9828 -11.5819 -8.1181 -5.3614 -4.1356 -3.7835 -2.7395 -2.4033 -2.1684 -1.5333 -1.4411 -0.6483 1.1267 1.3089 2.1783 2.6582 3.0726 3.3375 4.0375 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.5593 0.0000 ( 79610 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7106 -35.1583 -34.9780 -22.2133 -22.1707 -22.1616 -22.1374 -22.1327 -17.7499 -17.5561 -17.2923 -17.1871 -17.0050 -16.9909 -13.2418 -12.9848 -11.5807 -8.1310 -5.3744 -4.1353 -3.7949 -2.7353 -2.4117 -2.1696 -1.5266 -1.4391 -0.6604 1.1485 1.3116 2.1629 2.6571 3.0769 3.3229 4.0440 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.5774 0.0000 ( 79633 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7106 -35.1582 -34.9779 -22.2134 -22.1707 -22.1616 -22.1373 -22.1327 -17.7505 -17.5566 -17.2924 -17.1876 -17.0049 -16.9912 -13.2364 -12.9856 -11.5804 -8.1354 -5.3788 -4.1352 -3.7986 -2.7338 -2.4147 -2.1700 -1.5244 -1.4384 -0.6644 1.1555 1.3132 2.1574 2.6567 3.0785 3.3179 4.0461 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.2436 0.0000 ( 79485 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1836 -34.9919 -22.1950 -22.1725 -22.1547 -22.1537 -22.1421 -17.7116 -17.3509 -17.2199 -17.0679 -16.9807 -16.9519 -14.0231 -13.1981 -11.6863 -7.4101 -3.9920 -3.8608 -2.9531 -2.4258 -2.3342 -2.2064 -1.7319 -1.5524 -0.0518 0.1277 1.8196 2.4595 2.6871 2.8846 2.9037 3.6053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.2616 0.0000 ( 79500 PWs) bands (ev): -47.9351 -47.9350 -47.9283 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1816 -34.9908 -22.1962 -22.1723 -22.1548 -22.1534 -22.1412 -17.7086 -17.3688 -17.2343 -17.0738 -16.9821 -16.9565 -13.9761 -13.1744 -11.6767 -7.4423 -4.0964 -3.9501 -2.9696 -2.4879 -2.3198 -2.2387 -1.7328 -1.5440 0.0079 0.1118 1.7696 2.5203 2.6465 2.8945 2.9896 3.5966 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.2797 0.0000 ( 79492 PWs) bands (ev): -47.9351 -47.9350 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1796 -34.9897 -22.1975 -22.1721 -22.1553 -22.1527 -22.1402 -17.7062 -17.3870 -17.2472 -17.0807 -16.9841 -16.9604 -13.9271 -13.1506 -11.6672 -7.4786 -4.2187 -4.0112 -2.9959 -2.5601 -2.3058 -2.2499 -1.7350 -1.5348 0.0362 0.1237 1.7207 2.5437 2.6350 2.9011 3.0900 3.5871 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.2977 0.0000 ( 79503 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1776 -34.9885 -22.1988 -22.1719 -22.1558 -22.1519 -22.1392 -17.7044 -17.4052 -17.2587 -17.0882 -16.9868 -16.9636 -13.8762 -13.1271 -11.6580 -7.5190 -4.3441 -4.0576 -3.0354 -2.6263 -2.3108 -2.2328 -1.7380 -1.5254 0.0137 0.1825 1.6736 2.5165 2.6664 2.9168 3.1850 3.5840 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.3157 0.0000 ( 79535 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1755 -34.9874 -22.2001 -22.1718 -22.1563 -22.1510 -22.1382 -17.7033 -17.4233 -17.2687 -17.0964 -16.9900 -16.9661 -13.8239 -13.1042 -11.6490 -7.5632 -4.4660 -4.0950 -3.0898 -2.6797 -2.3232 -2.2038 -1.7409 -1.5160 -0.0256 0.2550 1.6287 2.4800 2.6981 2.9404 3.2696 3.5928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.3338 0.0000 ( 79521 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1736 -34.9863 -22.2014 -22.1716 -22.1568 -22.1501 -22.1372 -17.7031 -17.4409 -17.2771 -17.1050 -16.9934 -16.9682 -13.7704 -13.0822 -11.6403 -7.6108 -4.5819 -4.1253 -3.1573 -2.7192 -2.3346 -2.1743 -1.7425 -1.5068 -0.0720 0.3318 1.5866 2.4460 2.7195 2.9673 3.3401 3.6173 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.3518 0.0000 ( 79527 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1716 -34.9853 -22.2027 -22.1715 -22.1572 -22.1491 -22.1363 -17.7039 -17.4577 -17.2841 -17.1139 -16.9969 -16.9700 -13.7163 -13.0615 -11.6321 -7.6611 -4.6907 -4.1496 -3.2335 -2.7471 -2.3437 -2.1486 -1.7412 -1.4981 -0.1228 0.4111 1.5477 2.4160 2.7319 2.9911 3.3970 3.6564 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.3699 0.0000 ( 79521 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1697 -34.9842 -22.2040 -22.1715 -22.1577 -22.1481 -22.1355 -17.7055 -17.4734 -17.2899 -17.1228 -17.0002 -16.9717 -13.6618 -13.0423 -11.6243 -7.7136 -4.7918 -4.1684 -3.3133 -2.7664 -2.3505 -2.1293 -1.7353 -1.4900 -0.1763 0.4919 1.5122 2.3896 2.7386 3.0074 3.4434 3.7037 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.3879 0.0000 ( 79513 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1679 -34.9832 -22.2052 -22.1715 -22.1582 -22.1470 -22.1348 -17.7081 -17.4879 -17.2945 -17.1317 -17.0032 -16.9734 -13.6075 -13.0251 -11.6170 -7.7672 -4.8847 -4.1826 -3.3930 -2.7793 -2.3556 -2.1181 -1.7238 -1.4825 -0.2310 0.5736 1.4802 2.3661 2.7421 3.0153 3.4802 3.7533 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.4059 0.0000 ( 79546 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1662 -34.9823 -22.2064 -22.1715 -22.1586 -22.1458 -22.1342 -17.7114 -17.5009 -17.2981 -17.1403 -17.0059 -16.9752 -13.5539 -13.0101 -11.6102 -7.8210 -4.9693 -4.1927 -3.4698 -2.7872 -2.3600 -2.1150 -1.7065 -1.4757 -0.2855 0.6554 1.4520 2.3443 2.7443 3.0166 3.5045 3.8031 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0260 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.4240 0.0000 ( 79551 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1647 -34.9815 -22.2075 -22.1715 -22.1590 -22.1447 -22.1337 -17.7153 -17.5124 -17.3010 -17.1484 -17.0082 -16.9771 -13.5016 -12.9975 -11.6040 -7.8738 -5.0454 -4.1995 -3.5418 -2.7906 -2.3648 -2.1185 -1.6848 -1.4696 -0.3386 0.7367 1.4274 2.3233 2.7459 3.0141 3.5128 3.8524 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.3254 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.4420 0.0000 ( 79551 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1632 -34.9807 -22.2085 -22.1715 -22.1594 -22.1435 -22.1333 -17.7197 -17.5223 -17.3031 -17.1560 -17.0100 -16.9790 -13.4511 -12.9876 -11.5983 -7.9245 -5.1129 -4.2038 -3.6077 -2.7899 -2.3714 -2.1263 -1.6605 -1.4642 -0.3889 0.8162 1.4065 2.3022 2.7474 3.0102 3.5055 3.8996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.8319 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.4601 0.0000 ( 79541 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1619 -34.9800 -22.2094 -22.1716 -22.1597 -22.1423 -22.1331 -17.7244 -17.5307 -17.3048 -17.1629 -17.0114 -16.9809 -13.4033 -12.9805 -11.5933 -7.9720 -5.1720 -4.2062 -3.6664 -2.7853 -2.3810 -2.1359 -1.6356 -1.4594 -0.4355 0.8928 1.3894 2.2803 2.7489 3.0066 3.4857 3.9420 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9884 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.4781 0.0000 ( 79573 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1608 -34.9793 -22.2102 -22.1716 -22.1600 -22.1412 -22.1329 -17.7289 -17.5376 -17.3060 -17.1689 -17.0124 -16.9828 -13.3588 -12.9763 -11.5890 -8.0152 -5.2225 -4.2074 -3.7173 -2.7772 -2.3944 -2.1449 -1.6117 -1.4552 -0.4772 0.9647 1.3763 2.2574 2.7502 3.0046 3.4582 3.9780 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9997 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.4962 0.0000 ( 79608 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1598 -34.9788 -22.2109 -22.1717 -22.1602 -22.1402 -22.1329 -17.7332 -17.5431 -17.3069 -17.1740 -17.0131 -16.9846 -13.3185 -12.9746 -11.5853 -8.0529 -5.2645 -4.2079 -3.7599 -2.7660 -2.4113 -2.1521 -1.5902 -1.4515 -0.5133 1.0296 1.3673 2.2339 2.7510 3.0044 3.4278 4.0070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.5142 0.0000 ( 79604 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7106 -35.1590 -34.9784 -22.2114 -22.1717 -22.1604 -22.1393 -22.1330 -17.7369 -17.5474 -17.3076 -17.1781 -17.0135 -16.9863 -13.2836 -12.9751 -11.5823 -8.0843 -5.2981 -4.2081 -3.7939 -2.7528 -2.4307 -2.1570 -1.5722 -1.4484 -0.5431 1.0848 1.3627 2.2108 2.7513 3.0061 3.3985 4.0296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.5322 0.0000 ( 79600 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7106 -35.1584 -34.9781 -22.2118 -22.1717 -22.1606 -22.1384 -22.1331 -17.7398 -17.5505 -17.3081 -17.1813 -17.0137 -16.9876 -13.2553 -12.9771 -11.5801 -8.1086 -5.3233 -4.2081 -3.8194 -2.7392 -2.4500 -2.1599 -1.5583 -1.4459 -0.5659 1.1276 1.3623 2.1900 2.7513 3.0087 3.3736 4.0462 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.5503 0.0000 ( 79633 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7106 -35.1580 -34.9779 -22.2121 -22.1718 -22.1607 -22.1378 -22.1333 -17.7419 -17.5525 -17.3084 -17.1834 -17.0137 -16.9886 -13.2351 -12.9795 -11.5786 -8.1252 -5.3401 -4.2082 -3.8363 -2.7275 -2.4662 -2.1615 -1.5489 -1.4440 -0.5813 1.1560 1.3647 2.1740 2.7511 3.0113 3.3555 4.0571 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1406 0.5683 0.0000 ( 79629 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7106 -35.1578 -34.9777 -22.2123 -22.1718 -22.1607 -22.1375 -22.1334 -17.7430 -17.5535 -17.3086 -17.1844 -17.0137 -16.9891 -13.2245 -12.9811 -11.5778 -8.1335 -5.3485 -4.2082 -3.8447 -2.7205 -2.4755 -2.1621 -1.5441 -1.4431 -0.5891 1.1699 1.3672 2.1652 2.7509 3.0129 3.3460 4.0625 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.2706 0.0000 ( 79489 PWs) bands (ev): -47.9351 -47.9350 -47.9284 -47.9283 -47.9246 -47.7253 -47.7245 -47.7244 -47.7110 -47.7108 -35.1796 -34.9897 -22.1973 -22.1722 -22.1549 -22.1531 -22.1402 -17.7061 -17.3850 -17.2491 -17.0792 -16.9842 -16.9609 -13.9286 -13.1513 -11.6674 -7.4769 -4.1791 -4.0487 -2.9925 -2.5472 -2.3031 -2.2726 -1.7348 -1.5357 0.0437 0.1264 1.7300 2.5481 2.6246 2.9458 3.0387 3.5894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.2887 0.0000 ( 79467 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1777 -34.9886 -22.1985 -22.1722 -22.1552 -22.1526 -22.1392 -17.7041 -17.4013 -17.2625 -17.0853 -16.9872 -16.9644 -13.8792 -13.1283 -11.6583 -7.5153 -4.2858 -4.1130 -3.0255 -2.6144 -2.3163 -2.2576 -1.7381 -1.5267 0.0358 0.1814 1.6912 2.5010 2.6778 2.9566 3.1297 3.5858 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.3067 0.0000 ( 79525 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1757 -34.9875 -22.1996 -22.1721 -22.1555 -22.1519 -22.1382 -17.7027 -17.4178 -17.2742 -17.0922 -16.9911 -16.9669 -13.8282 -13.1057 -11.6494 -7.5574 -4.4014 -4.1568 -3.0714 -2.6774 -2.3342 -2.2270 -1.7421 -1.5176 0.0092 0.2517 1.6538 2.4514 2.7314 2.9618 3.2244 3.5900 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.3248 0.0000 ( 79517 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1737 -34.9864 -22.2008 -22.1721 -22.1560 -22.1511 -22.1373 -17.7021 -17.4341 -17.2844 -17.0997 -16.9955 -16.9687 -13.7759 -13.0838 -11.6408 -7.6028 -4.5157 -4.1900 -3.1313 -2.7294 -2.3475 -2.1956 -1.7459 -1.5085 -0.0259 0.3272 1.6181 2.4090 2.7714 2.9695 3.3112 3.6063 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.3428 0.0000 ( 79515 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1718 -34.9854 -22.2020 -22.1721 -22.1564 -22.1502 -22.1364 -17.7022 -17.4499 -17.2929 -17.1077 -17.0000 -16.9702 -13.7227 -13.0631 -11.6325 -7.6510 -4.6248 -4.2159 -3.2029 -2.7684 -2.3568 -2.1667 -1.7480 -1.4999 -0.0668 0.4054 1.5845 2.3744 2.7946 2.9815 3.3848 3.6375 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.3608 0.0000 ( 79531 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1700 -34.9843 -22.2031 -22.1721 -22.1568 -22.1492 -22.1356 -17.7031 -17.4651 -17.3000 -17.1160 -17.0043 -16.9716 -13.6690 -13.0437 -11.6246 -7.7014 -4.7271 -4.2362 -3.2821 -2.7961 -2.3633 -2.1427 -1.7469 -1.4917 -0.1120 0.4854 1.5534 2.3468 2.8034 2.9948 3.4436 3.6818 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.3789 0.0000 ( 79523 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1682 -34.9834 -22.2042 -22.1722 -22.1572 -22.1482 -22.1349 -17.7048 -17.4794 -17.3058 -17.1244 -17.0082 -16.9729 -13.6152 -13.0260 -11.6172 -7.7532 -4.8218 -4.2517 -3.3641 -2.8147 -2.3681 -2.1256 -1.7410 -1.4842 -0.1599 0.5664 1.5250 2.3248 2.8033 3.0054 3.4891 3.7328 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.3969 0.0000 ( 79539 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1665 -34.9824 -22.2053 -22.1723 -22.1576 -22.1471 -22.1343 -17.7072 -17.4925 -17.3104 -17.1328 -17.0117 -16.9744 -13.5619 -13.0104 -11.6103 -7.8054 -4.9085 -4.2633 -3.4454 -2.8259 -2.3722 -2.1163 -1.7294 -1.4775 -0.2093 0.6478 1.4997 2.3069 2.7991 3.0109 3.5220 3.7839 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.4150 0.0000 ( 79547 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1649 -34.9816 -22.2063 -22.1723 -22.1580 -22.1459 -22.1338 -17.7101 -17.5044 -17.3141 -17.1410 -17.0147 -16.9759 -13.5096 -12.9970 -11.6039 -7.8572 -4.9869 -4.2717 -3.5235 -2.8308 -2.3771 -2.1145 -1.7123 -1.4714 -0.2586 0.7286 1.4776 2.2915 2.7944 3.0112 3.5408 3.8323 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0035 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.4330 0.0000 ( 79554 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1634 -34.9807 -22.2072 -22.1724 -22.1583 -22.1447 -22.1335 -17.7136 -17.5148 -17.3171 -17.1487 -17.0172 -16.9775 -13.4588 -12.9862 -11.5980 -7.9074 -5.0568 -4.2775 -3.5964 -2.8299 -2.3840 -2.1183 -1.6912 -1.4662 -0.3067 0.8079 1.4588 2.2771 2.7914 3.0073 3.5443 3.8773 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0889 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.4511 0.0000 ( 79572 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1620 -34.9800 -22.2081 -22.1725 -22.1586 -22.1436 -22.1332 -17.7173 -17.5237 -17.3194 -17.1559 -17.0192 -16.9792 -13.4102 -12.9781 -11.5928 -7.9550 -5.1184 -4.2813 -3.6628 -2.8236 -2.3944 -2.1252 -1.6679 -1.4617 -0.3523 0.8845 1.4435 2.2625 2.7910 3.0003 3.5339 3.9187 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4727 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.4691 0.0000 ( 79585 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1609 -34.9794 -22.2088 -22.1726 -22.1589 -22.1424 -22.1332 -17.7212 -17.5313 -17.3212 -17.1623 -17.0207 -16.9808 -13.3646 -12.9727 -11.5882 -7.9989 -5.1715 -4.2838 -3.7218 -2.8123 -2.4091 -2.1330 -1.6442 -1.4579 -0.3941 0.9568 1.4318 2.2470 2.7937 2.9913 3.5134 3.9560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.8658 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.4871 0.0000 ( 79607 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1598 -34.9788 -22.2095 -22.1727 -22.1592 -22.1413 -22.1332 -17.7249 -17.5375 -17.3226 -17.1680 -17.0218 -16.9824 -13.3226 -12.9701 -11.5842 -8.0380 -5.2163 -4.2853 -3.7726 -2.7967 -2.4286 -2.1398 -1.6218 -1.4548 -0.4312 1.0230 1.4238 2.2305 2.7990 2.9811 3.4876 3.9885 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9842 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.5052 0.0000 ( 79611 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1590 -34.9784 -22.2101 -22.1728 -22.1594 -22.1402 -22.1333 -17.7282 -17.5424 -17.3237 -17.1727 -17.0225 -16.9839 -13.2853 -12.9698 -11.5809 -8.0714 -5.2528 -4.2863 -3.8147 -2.7774 -2.4521 -2.1449 -1.6020 -1.4523 -0.4628 1.0807 1.4196 2.2134 2.8061 2.9705 3.4608 4.0158 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9988 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.5232 0.0000 ( 79608 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7106 -35.1583 -34.9780 -22.2105 -22.1729 -22.1595 -22.1393 -22.1336 -17.7311 -17.5461 -17.3245 -17.1764 -17.0230 -16.9852 -13.2539 -12.9714 -11.5783 -8.0984 -5.2811 -4.2869 -3.8476 -2.7561 -2.4778 -2.1482 -1.5857 -1.4503 -0.4881 1.1276 1.4192 2.1970 2.8138 2.9606 3.4367 4.0375 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.5413 0.0000 ( 79633 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7106 -35.1578 -34.9777 -22.2108 -22.1729 -22.1596 -22.1385 -22.1338 -17.7332 -17.5486 -17.3251 -17.1791 -17.0233 -16.9862 -13.2297 -12.9739 -11.5765 -8.1181 -5.3013 -4.2873 -3.8712 -2.7350 -2.5026 -2.1501 -1.5736 -1.4490 -0.5066 1.1615 1.4214 2.1830 2.8208 2.9522 3.4179 4.0532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.5593 0.0000 ( 79651 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7106 -35.1575 -34.9776 -22.2110 -22.1730 -22.1597 -22.1379 -22.1341 -17.7345 -17.5501 -17.3254 -17.1807 -17.0234 -16.9868 -13.2143 -12.9762 -11.5753 -8.1301 -5.3134 -4.2875 -3.8854 -2.7182 -2.5219 -2.1510 -1.5662 -1.4481 -0.5179 1.1818 1.4243 2.1734 2.8258 2.9465 3.4060 4.0628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1562 0.5774 0.0000 ( 79635 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7106 -35.1574 -34.9775 -22.2111 -22.1730 -22.1597 -22.1376 -22.1342 -17.7350 -17.5506 -17.3256 -17.1812 -17.0234 -16.9870 -13.2089 -12.9771 -11.5750 -8.1342 -5.3174 -4.2876 -3.8902 -2.7116 -2.5294 -2.1513 -1.5637 -1.4479 -0.5217 1.1885 1.4256 2.1700 2.8276 2.9445 3.4019 4.0659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.2977 0.0000 ( 79501 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1758 -34.9875 -22.1995 -22.1722 -22.1552 -22.1522 -22.1382 -17.7025 -17.4158 -17.2762 -17.0907 -16.9916 -16.9672 -13.8296 -13.1062 -11.6496 -7.5555 -4.3698 -4.1878 -3.0645 -2.6769 -2.3382 -2.2350 -1.7425 -1.5181 0.0210 0.2508 1.6630 2.4404 2.7400 2.9788 3.2022 3.5895 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.3157 0.0000 ( 79520 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7108 -35.1738 -34.9865 -22.2005 -22.1723 -22.1554 -22.1517 -22.1373 -17.7016 -17.4303 -17.2884 -17.0969 -16.9968 -16.9690 -13.7786 -13.0846 -11.6410 -7.5988 -4.4676 -4.2378 -3.1153 -2.7370 -2.3537 -2.2069 -1.7475 -1.5094 -0.0022 0.3250 1.6361 2.3868 2.7929 2.9844 3.2891 3.6006 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.3338 0.0000 ( 79504 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1719 -34.9854 -22.2015 -22.1725 -22.1557 -22.1510 -22.1364 -17.7012 -17.4447 -17.2988 -17.1036 -17.0023 -16.9702 -13.7265 -13.0640 -11.6328 -7.6448 -4.5692 -4.2727 -3.1788 -2.7874 -2.3635 -2.1786 -1.7519 -1.5009 -0.0318 0.4022 1.6105 2.3430 2.8275 2.9899 3.3738 3.6231 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.3518 0.0000 ( 79513 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1701 -34.9844 -22.2025 -22.1726 -22.1560 -22.1502 -22.1356 -17.7015 -17.4587 -17.3077 -17.1109 -17.0077 -16.9713 -13.6738 -13.0446 -11.6249 -7.6931 -4.6683 -4.2984 -3.2529 -2.8253 -2.3698 -2.1527 -1.7545 -1.4928 -0.0669 0.4813 1.5863 2.3089 2.8394 3.0031 3.4465 3.6593 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.3699 0.0000 ( 79493 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1683 -34.9834 -22.2034 -22.1728 -22.1563 -22.1492 -22.1349 -17.7024 -17.4722 -17.3150 -17.1185 -17.0127 -16.9724 -13.6208 -13.0267 -11.6174 -7.7428 -4.7620 -4.3179 -3.3337 -2.8515 -2.3740 -2.1317 -1.7536 -1.4854 -0.1062 0.5615 1.5639 2.2835 2.8338 3.0207 3.5029 3.7077 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.3879 0.0000 ( 79516 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1666 -34.9825 -22.2044 -22.1729 -22.1566 -22.1482 -22.1344 -17.7039 -17.4849 -17.3211 -17.1263 -17.0172 -16.9735 -13.5680 -13.0106 -11.6103 -7.7933 -4.8489 -4.3327 -3.4170 -2.8677 -2.3776 -2.1172 -1.7477 -1.4787 -0.1485 0.6422 1.5435 2.2653 2.8201 3.0359 3.5442 3.7606 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.4059 0.0000 ( 79528 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1650 -34.9816 -22.2053 -22.1731 -22.1570 -22.1471 -22.1339 -17.7059 -17.4967 -17.3260 -17.1341 -17.0211 -16.9748 -13.5159 -12.9967 -11.6038 -7.8437 -4.9283 -4.3438 -3.4994 -2.8754 -2.3820 -2.1098 -1.7362 -1.4727 -0.1925 0.7225 1.5255 2.2524 2.8048 3.0448 3.5722 3.8104 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.4240 0.0000 ( 79574 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1635 -34.9808 -22.2061 -22.1733 -22.1573 -22.1460 -22.1336 -17.7083 -17.5073 -17.3300 -17.1417 -17.0244 -16.9761 -13.4651 -12.9851 -11.5977 -7.8930 -4.9998 -4.3520 -3.5783 -2.8757 -2.3886 -2.1088 -1.7195 -1.4677 -0.2366 0.8015 1.5101 2.2428 2.7918 3.0467 3.5872 3.8541 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.4420 0.0000 ( 79581 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1621 -34.9801 -22.2069 -22.1735 -22.1576 -22.1448 -22.1334 -17.7111 -17.5166 -17.3333 -17.1489 -17.0271 -16.9775 -13.4161 -12.9760 -11.5923 -7.9401 -5.0632 -4.3580 -3.6520 -2.8692 -2.3985 -2.1124 -1.6991 -1.4635 -0.2797 0.8780 1.4975 2.2346 2.7832 3.0419 3.5889 3.8927 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0176 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.4601 0.0000 ( 79615 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1609 -34.9794 -22.2076 -22.1737 -22.1578 -22.1437 -22.1333 -17.7140 -17.5247 -17.3359 -17.1556 -17.0292 -16.9789 -13.3696 -12.9697 -11.5874 -7.9841 -5.1184 -4.3621 -3.7190 -2.8566 -2.4130 -2.1182 -1.6769 -1.4601 -0.3204 0.9506 1.4880 2.2265 2.7803 3.0312 3.5792 3.9277 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1673 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.4781 0.0000 ( 79628 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1598 -34.9788 -22.2082 -22.1738 -22.1581 -22.1425 -22.1334 -17.7170 -17.5315 -17.3380 -17.1616 -17.0308 -16.9804 -13.3263 -12.9660 -11.5832 -8.0240 -5.1655 -4.3648 -3.7783 -2.8385 -2.4327 -2.1242 -1.6545 -1.4575 -0.3575 1.0176 1.4817 2.2176 2.7835 3.0154 3.5618 3.9601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.5309 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.4962 0.0000 ( 79614 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1589 -34.9783 -22.2087 -22.1740 -22.1583 -22.1414 -22.1336 -17.7197 -17.5370 -17.3396 -17.1668 -17.0319 -16.9817 -13.2871 -12.9649 -11.5796 -8.0589 -5.2045 -4.3666 -3.8290 -2.8158 -2.4573 -2.1293 -1.6336 -1.4556 -0.3900 1.0771 1.4786 2.2077 2.7923 2.9953 3.5412 3.9896 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.8391 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.5142 0.0000 ( 79646 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1582 -34.9779 -22.2091 -22.1741 -22.1584 -22.1403 -22.1339 -17.7222 -17.5412 -17.3409 -17.1710 -17.0327 -16.9829 -13.2531 -12.9659 -11.5767 -8.0879 -5.2355 -4.3676 -3.8705 -2.7896 -2.4858 -2.1329 -1.6154 -1.4544 -0.4170 1.1270 1.4785 2.1973 2.8060 2.9720 3.5210 4.0151 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9601 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.5322 0.0000 ( 79645 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1576 -34.9776 -22.2094 -22.1742 -22.1585 -22.1393 -22.1343 -17.7241 -17.5444 -17.3419 -17.1743 -17.0332 -16.9839 -13.2254 -12.9684 -11.5745 -8.1103 -5.2587 -4.3682 -3.9021 -2.7617 -2.5160 -2.1352 -1.6009 -1.4536 -0.4380 1.1655 1.4808 2.1876 2.8238 2.9466 3.5040 4.0356 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9903 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.5503 0.0000 ( 79653 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1572 -34.9774 -22.2097 -22.1742 -22.1586 -22.1385 -22.1347 -17.7255 -17.5464 -17.3425 -17.1765 -17.0335 -16.9846 -13.2055 -12.9711 -11.5731 -8.1256 -5.2740 -4.3684 -3.9234 -2.7355 -2.5440 -2.1365 -1.5907 -1.4532 -0.4522 1.1914 1.4839 2.1799 2.8448 2.9203 3.4920 4.0499 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9969 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1719 0.5683 0.0000 ( 79655 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1570 -34.9773 -22.2098 -22.1743 -22.1587 -22.1379 -22.1350 -17.7262 -17.5474 -17.3429 -17.1776 -17.0336 -16.9849 -13.1951 -12.9730 -11.5723 -8.1333 -5.2817 -4.3685 -3.9342 -2.7178 -2.5627 -2.1370 -1.5855 -1.4531 -0.4594 1.2043 1.4862 2.1756 2.8680 2.8944 3.4858 4.0573 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9984 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.3248 0.0000 ( 79513 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7110 -47.7107 -35.1720 -34.9855 -22.2013 -22.1726 -22.1554 -22.1514 -22.1364 -17.7009 -17.4428 -17.3009 -17.1022 -17.0032 -16.9702 -13.7278 -13.0643 -11.6329 -7.6427 -4.5445 -4.2979 -3.1694 -2.7951 -2.3655 -2.1827 -1.7532 -1.5012 -0.0199 0.4011 1.6199 2.3312 2.8362 2.9970 3.3690 3.6177 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.3428 0.0000 ( 79531 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1702 -34.9845 -22.2021 -22.1729 -22.1554 -22.1508 -22.1356 -17.7007 -17.4551 -17.3119 -17.1081 -17.0097 -16.9712 -13.6762 -13.0451 -11.6250 -7.6888 -4.6284 -4.3404 -3.2346 -2.8440 -2.3721 -2.1582 -1.7583 -1.4933 -0.0437 0.4792 1.6051 2.2864 2.8519 3.0161 3.4499 3.6439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.3608 0.0000 ( 79533 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1684 -34.9835 -22.2029 -22.1732 -22.1556 -22.1501 -22.1350 -17.7009 -17.4673 -17.3212 -17.1145 -17.0159 -16.9720 -13.6241 -13.0271 -11.6175 -7.7365 -4.7137 -4.3708 -3.3096 -2.8803 -2.3761 -2.1358 -1.7613 -1.4860 -0.0728 0.5586 1.5914 2.2525 2.8432 3.0430 3.5192 3.6827 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.3789 0.0000 ( 79497 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1667 -34.9826 -22.2037 -22.1734 -22.1558 -22.1492 -22.1344 -17.7017 -17.4790 -17.3292 -17.1213 -17.0216 -16.9729 -13.5720 -13.0108 -11.6104 -7.7851 -4.7962 -4.3932 -3.3909 -2.9042 -2.3791 -2.1177 -1.7606 -1.4794 -0.1063 0.6386 1.5786 2.2287 2.8226 3.0688 3.5703 3.7332 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.3969 0.0000 ( 79522 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1651 -34.9817 -22.2044 -22.1737 -22.1560 -22.1483 -22.1339 -17.7028 -17.4901 -17.3357 -17.1283 -17.0267 -16.9738 -13.5204 -12.9964 -11.6037 -7.8337 -4.8736 -4.4099 -3.4747 -2.9169 -2.3829 -2.1054 -1.7549 -1.4736 -0.1429 0.7184 1.5671 2.2135 2.7986 3.0875 3.6056 3.7861 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.4150 0.0000 ( 79551 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1636 -34.9809 -22.2051 -22.1740 -22.1562 -22.1472 -22.1336 -17.7042 -17.5004 -17.3412 -17.1354 -17.0310 -16.9749 -13.4698 -12.9841 -11.5975 -7.8816 -4.9445 -4.4224 -3.5577 -2.9201 -2.3886 -2.0993 -1.7438 -1.4687 -0.1814 0.7969 1.5571 2.2046 2.7762 3.0971 3.6295 3.8322 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.4330 0.0000 ( 79592 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1622 -34.9801 -22.2058 -22.1743 -22.1565 -22.1461 -22.1335 -17.7059 -17.5098 -17.3457 -17.1423 -17.0346 -16.9761 -13.4207 -12.9743 -11.5919 -7.9279 -5.0083 -4.4317 -3.6373 -2.9151 -2.3976 -2.0985 -1.7277 -1.4648 -0.2203 0.8731 1.5490 2.2000 2.7585 3.0971 3.6431 3.8695 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.4511 0.0000 ( 79605 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1610 -34.9794 -22.2064 -22.1746 -22.1567 -22.1449 -22.1334 -17.7078 -17.5181 -17.3494 -17.1490 -17.0374 -16.9773 -13.3737 -12.9671 -11.5868 -7.9715 -5.0646 -4.4384 -3.7116 -2.9027 -2.4110 -2.1013 -1.7083 -1.4618 -0.2583 0.9457 1.5430 2.1976 2.7471 3.0882 3.6465 3.9008 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0034 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.4691 0.0000 ( 79610 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1598 -34.9788 -22.2069 -22.1748 -22.1569 -22.1438 -22.1335 -17.7098 -17.5253 -17.3525 -17.1551 -17.0396 -16.9786 -13.3295 -12.9625 -11.5823 -8.0116 -5.1131 -4.4429 -3.7792 -2.8840 -2.4295 -2.1057 -1.6872 -1.4597 -0.2940 1.0132 1.5393 2.1956 2.7432 3.0714 3.6410 3.9298 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0440 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.4871 0.0000 ( 79627 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1589 -34.9783 -22.2074 -22.1751 -22.1571 -22.1426 -22.1337 -17.7117 -17.5313 -17.3550 -17.1606 -17.0413 -16.9798 -13.2888 -12.9605 -11.5785 -8.0474 -5.1540 -4.4457 -3.8389 -2.8599 -2.4531 -2.1102 -1.6663 -1.4584 -0.3263 1.0740 1.5380 2.1931 2.7466 3.0480 3.6298 3.9579 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2126 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.5052 0.0000 ( 79650 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1581 -34.9778 -22.2077 -22.1753 -22.1572 -22.1414 -22.1341 -17.7135 -17.5362 -17.3569 -17.1653 -17.0424 -16.9809 -13.2526 -12.9609 -11.5753 -8.0778 -5.1873 -4.4472 -3.8895 -2.8316 -2.4813 -2.1139 -1.6469 -1.4579 -0.3542 1.1262 1.5390 2.1899 2.7568 3.0199 3.6162 3.9848 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4944 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.5232 0.0000 ( 79656 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1574 -34.9775 -22.2080 -22.1754 -22.1574 -22.1403 -22.1346 -17.7150 -17.5399 -17.3585 -17.1691 -17.0432 -16.9818 -13.2220 -12.9630 -11.5728 -8.1024 -5.2130 -4.4477 -3.9301 -2.8007 -2.5125 -2.1166 -1.6305 -1.4578 -0.3768 1.1682 1.5416 2.1861 2.7723 2.9892 3.6034 4.0090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7326 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.5413 0.0000 ( 79658 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1570 -34.9772 -22.2083 -22.1755 -22.1574 -22.1393 -22.1351 -17.7162 -17.5425 -17.3595 -17.1718 -17.0437 -16.9826 -13.1982 -12.9660 -11.5710 -8.1203 -5.2312 -4.4476 -3.9599 -2.7698 -2.5439 -2.1183 -1.6179 -1.4581 -0.3934 1.1988 1.5450 2.1826 2.7908 2.9590 3.5932 4.0287 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.8617 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.5593 0.0000 ( 79674 PWs) bands (ev): -47.9351 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1567 -34.9771 -22.2084 -22.1756 -22.1575 -22.1385 -22.1357 -17.7169 -17.5440 -17.3602 -17.1735 -17.0440 -16.9830 -13.1830 -12.9687 -11.5699 -8.1313 -5.2422 -4.4474 -3.9780 -2.7440 -2.5701 -2.1192 -1.6100 -1.4584 -0.4036 1.2173 1.5479 2.1800 2.8084 2.9342 3.5867 4.0416 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9152 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1875 0.5774 0.0000 ( 79677 PWs) bands (ev): -47.9350 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1566 -34.9770 -22.2084 -22.1756 -22.1575 -22.1381 -22.1360 -17.7172 -17.5446 -17.3604 -17.1740 -17.0441 -16.9832 -13.1778 -12.9697 -11.5695 -8.1350 -5.2458 -4.4473 -3.9842 -2.7330 -2.5812 -2.1194 -1.6073 -1.4586 -0.4070 1.2235 1.5490 2.1791 2.8165 2.9236 3.5845 4.0462 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9292 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.3518 0.0000 ( 79513 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1685 -34.9835 -22.2028 -22.1733 -22.1553 -22.1504 -22.1350 -17.7005 -17.4655 -17.3234 -17.1131 -17.0171 -16.9719 -13.6252 -13.0272 -11.6175 -7.7344 -4.6935 -4.3926 -3.3002 -2.8915 -2.3765 -2.1373 -1.7639 -1.4862 -0.0614 0.5577 1.6014 2.2409 2.8449 3.0525 3.5277 3.6710 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.3699 0.0000 ( 79515 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1668 -34.9826 -22.2034 -22.1737 -22.1552 -22.1499 -22.1344 -17.7005 -17.4756 -17.3335 -17.1186 -17.0241 -16.9725 -13.5741 -13.0109 -11.6104 -7.7809 -4.7620 -4.4316 -3.3749 -2.9259 -2.3792 -2.1180 -1.7672 -1.4797 -0.0846 0.6369 1.5987 2.2069 2.8212 3.0892 3.5928 3.7098 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.3879 0.0000 ( 79527 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1652 -34.9817 -22.2039 -22.1741 -22.1552 -22.1491 -22.1340 -17.7008 -17.4855 -17.3422 -17.1244 -17.0305 -16.9733 -13.5232 -12.9962 -11.6036 -7.8276 -4.8305 -4.4604 -3.4557 -2.9468 -2.3823 -2.1022 -1.7669 -1.4741 -0.1122 0.7159 1.5966 2.1839 2.7917 3.1185 3.6366 3.7613 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.4059 0.0000 ( 79546 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1637 -34.9809 -22.2045 -22.1746 -22.1553 -22.1482 -22.1337 -17.7014 -17.4950 -17.3496 -17.1305 -17.0361 -16.9741 -13.4730 -12.9835 -11.5973 -7.8738 -4.8962 -4.4816 -3.5393 -2.9557 -2.3871 -2.0912 -1.7618 -1.4694 -0.1432 0.7939 1.5948 2.1706 2.7622 3.1372 3.6653 3.8133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.4240 0.0000 ( 79572 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1623 -34.9801 -22.2050 -22.1750 -22.1555 -22.1472 -22.1335 -17.7021 -17.5038 -17.3558 -17.1367 -17.0409 -16.9750 -13.4240 -12.9731 -11.5915 -7.9187 -4.9572 -4.4972 -3.6224 -2.9543 -2.3950 -2.0854 -1.7514 -1.4657 -0.1761 0.8697 1.5937 2.1648 2.7364 3.1443 3.6858 3.8554 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.4420 0.0000 ( 79591 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1610 -34.9794 -22.2054 -22.1754 -22.1556 -22.1461 -22.1335 -17.7029 -17.5120 -17.3611 -17.1429 -17.0448 -16.9760 -13.3768 -12.9651 -11.5863 -7.9615 -5.0124 -4.5084 -3.7024 -2.9441 -2.4069 -2.0840 -1.7364 -1.4630 -0.2098 0.9422 1.5933 2.1644 2.7168 3.1398 3.7002 3.8865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.4601 0.0000 ( 79618 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1598 -34.9788 -22.2058 -22.1758 -22.1558 -22.1450 -22.1336 -17.7038 -17.5193 -17.3654 -17.1489 -17.0478 -16.9771 -13.3320 -12.9597 -11.5816 -8.0013 -5.0611 -4.5161 -3.7773 -2.9264 -2.4236 -2.0856 -1.7183 -1.4614 -0.2426 1.0100 1.5939 2.1670 2.7049 3.1247 3.7081 3.9111 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.4781 0.0000 ( 79641 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1588 -34.9783 -22.2062 -22.1761 -22.1559 -22.1438 -22.1339 -17.7047 -17.5256 -17.3690 -17.1544 -17.0502 -16.9782 -13.2903 -12.9569 -11.5775 -8.0373 -5.1029 -4.5207 -3.8455 -2.9026 -2.4453 -2.0886 -1.6987 -1.4607 -0.2734 1.0715 1.5958 2.1708 2.7014 3.1007 3.7096 3.9340 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0112 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.4962 0.0000 ( 79647 PWs) bands (ev): -47.9350 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1580 -34.9778 -22.2065 -22.1764 -22.1560 -22.1427 -22.1343 -17.7055 -17.5309 -17.3719 -17.1594 -17.0519 -16.9792 -13.2524 -12.9565 -11.5740 -8.0687 -5.1376 -4.5230 -3.9053 -2.8740 -2.4717 -2.0917 -1.6793 -1.4608 -0.3009 1.1254 1.5987 2.1746 2.7059 3.0701 3.7062 3.9578 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0655 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.5142 0.0000 ( 79660 PWs) bands (ev): -47.9350 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1573 -34.9774 -22.2067 -22.1766 -22.1561 -22.1415 -22.1348 -17.7063 -17.5352 -17.3742 -17.1635 -17.0531 -16.9801 -13.2194 -12.9582 -11.5712 -8.0947 -5.1653 -4.5234 -3.9555 -2.8422 -2.5016 -2.0944 -1.6618 -1.4615 -0.3242 1.1701 1.6023 2.1777 2.7173 3.0358 3.7003 3.9823 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1961 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.5322 0.0000 ( 79692 PWs) bands (ev): -47.9350 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1568 -34.9771 -22.2069 -22.1768 -22.1562 -22.1404 -22.1354 -17.7069 -17.5384 -17.3759 -17.1667 -17.0539 -16.9808 -13.1924 -12.9612 -11.5691 -8.1148 -5.1859 -4.5228 -3.9947 -2.8095 -2.5330 -2.0964 -1.6473 -1.4625 -0.3425 1.2045 1.6061 2.1801 2.7331 3.0015 3.6942 4.0057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.3654 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.5503 0.0000 ( 79704 PWs) bands (ev): -47.9350 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1564 -34.9769 -22.2070 -22.1769 -22.1563 -22.1393 -22.1361 -17.7074 -17.5405 -17.3771 -17.1689 -17.0544 -16.9813 -13.1729 -12.9645 -11.5677 -8.1285 -5.1997 -4.5217 -4.0218 -2.7798 -2.5619 -2.0976 -1.6369 -1.4635 -0.3550 1.2278 1.6093 2.1817 2.7496 2.9720 3.6893 4.0249 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.5028 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2031 0.5683 0.0000 ( 79707 PWs) bands (ev): -47.9350 -47.9348 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1562 -34.9768 -22.2071 -22.1770 -22.1563 -22.1385 -22.1368 -17.7076 -17.5416 -17.3776 -17.1701 -17.0546 -16.9816 -13.1626 -12.9666 -11.5670 -8.1355 -5.2065 -4.5210 -4.0356 -2.7604 -2.5809 -2.0982 -1.6315 -1.4641 -0.3613 1.2395 1.6111 2.1824 2.7609 2.9540 3.6867 4.0362 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.5736 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2188 0.3789 0.0000 ( 79551 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7244 -47.7109 -47.7107 -35.1652 -34.9817 -22.2037 -22.1743 -22.1549 -22.1495 -22.1340 -17.7002 -17.4839 -17.3445 -17.1230 -17.0319 -16.9731 -13.5241 -12.9961 -11.6036 -7.8255 -4.8131 -4.4803 -3.4485 -2.9578 -2.3819 -2.1011 -1.7711 -1.4743 -0.1018 0.7151 1.6074 2.1728 2.7890 3.1295 3.6518 3.7483 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2188 0.3969 0.0000 ( 79565 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1637 -34.9809 -22.2041 -22.1749 -22.1547 -22.1489 -22.1337 -17.6999 -17.4919 -17.3542 -17.1278 -17.0390 -16.9737 -13.4746 -12.9832 -11.5972 -7.8698 -4.8656 -4.5179 -3.5283 -2.9757 -2.3859 -2.0866 -1.7715 -1.4697 -0.1236 0.7924 1.6165 2.1500 2.7546 3.1589 3.6871 3.8011 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2188 0.4150 0.0000 ( 79582 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1623 -34.9801 -22.2044 -22.1754 -22.1547 -22.1481 -22.1336 -17.6997 -17.4997 -17.3626 -17.1329 -17.0452 -16.9744 -13.4260 -12.9724 -11.5913 -7.9131 -4.9176 -4.5460 -3.6113 -2.9808 -2.3927 -2.0758 -1.7674 -1.4662 -0.1489 0.8677 1.6254 2.1376 2.7225 3.1754 3.7086 3.8534 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2188 0.4330 0.0000 ( 79595 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1610 -34.9794 -22.2047 -22.1760 -22.1546 -22.1472 -22.1336 -17.6994 -17.5071 -17.3698 -17.1381 -17.0505 -16.9752 -13.3790 -12.9638 -11.5859 -7.9546 -4.9671 -4.5662 -3.6942 -2.9751 -2.4032 -2.0693 -1.7584 -1.4639 -0.1765 0.9399 1.6337 2.1338 2.6956 3.1783 3.7252 3.8943 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2188 0.4511 0.0000 ( 79611 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1598 -34.9788 -22.2050 -22.1765 -22.1547 -22.1462 -22.1337 -17.6992 -17.5140 -17.3759 -17.1435 -17.0547 -16.9760 -13.3339 -12.9576 -11.5810 -7.9936 -5.0127 -4.5800 -3.7744 -2.9604 -2.4180 -2.0665 -1.7451 -1.4626 -0.2048 1.0077 1.6414 2.1366 2.6761 3.1681 3.7398 3.9225 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2188 0.4691 0.0000 ( 79619 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1588 -34.9782 -22.2052 -22.1770 -22.1547 -22.1451 -22.1340 -17.6989 -17.5203 -17.3810 -17.1487 -17.0581 -16.9769 -13.2915 -12.9540 -11.5767 -8.0293 -5.0533 -4.5886 -3.8496 -2.9385 -2.4376 -2.0664 -1.7287 -1.4623 -0.2325 1.0697 1.6485 2.1437 2.6653 3.1465 3.7524 3.9422 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2188 0.4871 0.0000 ( 79639 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1579 -34.9777 -22.2053 -22.1774 -22.1548 -22.1439 -22.1344 -17.6987 -17.5259 -17.3853 -17.1535 -17.0606 -16.9778 -13.2524 -12.9529 -11.5730 -8.0609 -5.0882 -4.5928 -3.9180 -2.9109 -2.4617 -2.0677 -1.7110 -1.4630 -0.2584 1.1246 1.6550 2.1529 2.6634 3.1160 3.7620 3.9590 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0034 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2188 0.5052 0.0000 ( 79633 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1572 -34.9773 -22.2055 -22.1777 -22.1549 -22.1428 -22.1349 -17.6984 -17.5305 -17.3886 -17.1579 -17.0624 -16.9787 -13.2175 -12.9540 -11.5700 -8.0879 -5.1169 -4.5936 -3.9778 -2.8796 -2.4895 -2.0696 -1.6936 -1.4644 -0.2812 1.1713 1.6607 2.1627 2.6699 3.0800 3.7680 3.9770 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0194 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2188 0.5232 0.0000 ( 79663 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1566 -34.9770 -22.2056 -22.1780 -22.1549 -22.1416 -22.1356 -17.6982 -17.5343 -17.3912 -17.1614 -17.0636 -16.9794 -13.1878 -12.9568 -11.5676 -8.1096 -5.1394 -4.5922 -4.0271 -2.8466 -2.5194 -2.0714 -1.6782 -1.4662 -0.3000 1.2087 1.6653 2.1718 2.6826 3.0422 3.7706 3.9975 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0621 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2188 0.5413 0.0000 ( 79707 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1561 -34.9768 -22.2057 -22.1782 -22.1550 -22.1405 -22.1364 -17.6980 -17.5370 -17.3931 -17.1641 -17.0644 -16.9799 -13.1646 -12.9605 -11.5658 -8.1254 -5.1555 -4.5898 -4.0642 -2.8152 -2.5486 -2.0727 -1.6660 -1.4680 -0.3140 1.2359 1.6688 2.1793 2.6983 3.0076 3.7712 4.0191 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1264 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2188 0.5593 0.0000 ( 79713 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1559 -34.9766 -22.2057 -22.1783 -22.1550 -22.1394 -22.1372 -17.6979 -17.5386 -17.3942 -17.1657 -17.0648 -16.9802 -13.1496 -12.9637 -11.5648 -8.1351 -5.1651 -4.5876 -4.0874 -2.7906 -2.5717 -2.0735 -1.6581 -1.4693 -0.3226 1.2525 1.6709 2.1842 2.7120 2.9822 3.7709 4.0376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1838 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2188 0.5774 0.0000 ( 79691 PWs) bands (ev): -47.9350 -47.9348 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1558 -34.9766 -22.2057 -22.1784 -22.1550 -22.1387 -22.1378 -17.6979 -17.5392 -17.3945 -17.1663 -17.0649 -16.9804 -13.1444 -12.9649 -11.5644 -8.1383 -5.1683 -4.5868 -4.0953 -2.7809 -2.5810 -2.0738 -1.6554 -1.4698 -0.3255 1.2581 1.6717 2.1859 2.7175 2.9726 3.7707 4.0455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2064 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2344 0.4059 0.0000 ( 79593 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1623 -34.9802 -22.2042 -22.1756 -22.1543 -22.1485 -22.1336 -17.6988 -17.4982 -17.3650 -17.1314 -17.0468 -16.9742 -13.4267 -12.9721 -11.5913 -7.9112 -4.9017 -4.5650 -3.6072 -2.9903 -2.3919 -2.0722 -1.7732 -1.4664 -0.1398 0.8671 1.6371 2.1271 2.7178 3.1862 3.7144 3.8552 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2344 0.4240 0.0000 ( 79601 PWs) bands (ev): -47.9351 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1610 -34.9794 -22.2043 -22.1763 -22.1540 -22.1479 -22.1336 -17.6976 -17.5043 -17.3745 -17.1354 -17.0536 -16.9747 -13.3800 -12.9631 -11.5857 -7.9511 -4.9385 -4.6012 -3.6893 -2.9918 -2.4011 -2.0605 -1.7708 -1.4643 -0.1595 0.9388 1.6571 2.1149 2.6849 3.1990 3.7292 3.9097 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2344 0.4420 0.0000 ( 79612 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1598 -34.9788 -22.2044 -22.1770 -22.1538 -22.1471 -22.1337 -17.6963 -17.5103 -17.3829 -17.1397 -17.0595 -16.9754 -13.3351 -12.9563 -11.5807 -7.9888 -4.9751 -4.6272 -3.7719 -2.9823 -2.4143 -2.0521 -1.7640 -1.4633 -0.1816 1.0063 1.6753 2.1123 2.6586 3.1971 3.7407 3.9536 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2344 0.4601 0.0000 ( 79614 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1588 -34.9782 -22.2044 -22.1776 -22.1537 -22.1461 -22.1340 -17.6949 -17.5160 -17.3900 -17.1440 -17.0642 -16.9761 -13.2923 -12.9520 -11.5762 -8.0237 -5.0101 -4.6440 -3.8520 -2.9642 -2.4318 -2.0470 -1.7531 -1.4635 -0.2046 1.0684 1.6910 2.1175 2.6408 3.1815 3.7528 3.9840 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2344 0.4781 0.0000 ( 79632 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1579 -34.9777 -22.2044 -22.1782 -22.1537 -22.1451 -22.1344 -17.6934 -17.5214 -17.3960 -17.1484 -17.0678 -16.9769 -13.2525 -12.9502 -11.5723 -8.0551 -5.0422 -4.6532 -3.9275 -2.9392 -2.4535 -2.0447 -1.7392 -1.4647 -0.2273 1.1241 1.7037 2.1285 2.6323 3.1545 3.7662 4.0033 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2344 0.4962 0.0000 ( 79627 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1571 -34.9773 -22.2044 -22.1787 -22.1536 -22.1440 -22.1350 -17.6919 -17.5262 -17.4009 -17.1525 -17.0705 -16.9776 -13.2162 -12.9507 -11.5690 -8.0823 -5.0703 -4.6561 -3.9960 -2.9096 -2.4790 -2.0442 -1.7240 -1.4667 -0.2483 1.1721 1.7133 2.1429 2.6331 3.1195 3.7802 4.0162 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0014 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2344 0.5142 0.0000 ( 79659 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1564 -34.9769 -22.2044 -22.1791 -22.1536 -22.1428 -22.1357 -17.6906 -17.5303 -17.4047 -17.1561 -17.0725 -16.9782 -13.1843 -12.9532 -11.5663 -8.1049 -5.0935 -4.6545 -4.0554 -2.8773 -2.5070 -2.0447 -1.7091 -1.4692 -0.2665 1.2117 1.7200 2.1583 2.6419 3.0804 3.7932 4.0273 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0066 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2344 0.5322 0.0000 ( 79703 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1559 -34.9767 -22.2044 -22.1794 -22.1537 -22.1417 -22.1365 -17.6894 -17.5336 -17.4075 -17.1590 -17.0737 -16.9787 -13.1581 -12.9570 -11.5643 -8.1223 -5.1113 -4.6503 -4.1033 -2.8454 -2.5353 -2.0455 -1.6962 -1.4718 -0.2810 1.2421 1.7241 2.1726 2.6559 3.0422 3.8038 4.0401 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0192 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2344 0.5503 0.0000 ( 79697 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1556 -34.9765 -22.2044 -22.1796 -22.1537 -22.1405 -22.1374 -17.6886 -17.5358 -17.4094 -17.1611 -17.0745 -16.9791 -13.1389 -12.9610 -11.5629 -8.1342 -5.1234 -4.6457 -4.1373 -2.8178 -2.5603 -2.0462 -1.6866 -1.4739 -0.2911 1.2627 1.7263 2.1835 2.6709 3.0105 3.8112 4.0557 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0370 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2344 0.5683 0.0000 ( 79695 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1554 -34.9764 -22.2044 -22.1798 -22.1537 -22.1394 -22.1384 -17.6882 -17.5370 -17.4103 -17.1622 -17.0749 -16.9793 -13.1287 -12.9636 -11.5622 -8.1401 -5.1294 -4.6427 -4.1551 -2.8009 -2.5758 -2.0465 -1.6815 -1.4752 -0.2963 1.2731 1.7273 2.1894 2.6808 2.9919 3.8149 4.0707 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0503 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.4330 0.0000 ( 79605 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1598 -34.9788 -22.2042 -22.1771 -22.1535 -22.1474 -22.1337 -17.6953 -17.5090 -17.3853 -17.1383 -17.0612 -16.9752 -13.3354 -12.9559 -11.5806 -7.9872 -4.9600 -4.6455 -3.7709 -2.9899 -2.4130 -2.0466 -1.7709 -1.4635 -0.1738 1.0058 1.6879 2.1027 2.6528 3.2074 3.7376 3.9691 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.4511 0.0000 ( 79600 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1588 -34.9782 -22.2040 -22.1779 -22.1531 -22.1468 -22.1340 -17.6927 -17.5136 -17.3949 -17.1414 -17.0676 -16.9757 -13.2928 -12.9510 -11.5760 -8.0208 -4.9827 -4.6776 -3.8531 -2.9775 -2.4288 -2.0353 -1.7672 -1.4640 -0.1905 1.0678 1.7157 2.1007 2.6285 3.2009 3.7435 4.0192 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.4691 0.0000 ( 79627 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1578 -34.9777 -22.2039 -22.1787 -22.1528 -22.1460 -22.1345 -17.6900 -17.5182 -17.4031 -17.1447 -17.0728 -16.9763 -13.2525 -12.9485 -11.5719 -8.0514 -5.0062 -4.6977 -3.9334 -2.9569 -2.4484 -2.0272 -1.7598 -1.4656 -0.2084 1.1237 1.7385 2.1080 2.6135 3.1810 3.7514 4.0543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.4871 0.0000 ( 79649 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1570 -34.9772 -22.2037 -22.1794 -22.1526 -22.1451 -22.1351 -17.6872 -17.5227 -17.4100 -17.1481 -17.0769 -16.9768 -13.2154 -12.9484 -11.5683 -8.0784 -5.0297 -4.7068 -4.0090 -2.9303 -2.4716 -2.0220 -1.7493 -1.4682 -0.2261 1.1726 1.7553 2.1228 2.6083 3.1506 3.7625 4.0719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.5052 0.0000 ( 79655 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1563 -34.9769 -22.2035 -22.1800 -22.1524 -22.1441 -22.1358 -17.6845 -17.5268 -17.4155 -17.1513 -17.0799 -16.9774 -13.1820 -12.9504 -11.5654 -8.1013 -5.0513 -4.7073 -4.0776 -2.9000 -2.4974 -2.0192 -1.7374 -1.4713 -0.2424 1.2137 1.7661 2.1422 2.6123 3.1136 3.7763 4.0742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.5232 0.0000 ( 79680 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1558 -34.9766 -22.2033 -22.1804 -22.1524 -22.1430 -22.1366 -17.6822 -17.5305 -17.4197 -17.1542 -17.0820 -16.9779 -13.1533 -12.9542 -11.5631 -8.1197 -5.0697 -4.7019 -4.1364 -2.8686 -2.5243 -2.0179 -1.7257 -1.4747 -0.2562 1.2464 1.7721 2.1625 2.6236 3.0745 3.7914 4.0640 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0028 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.5413 0.0000 ( 79684 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1554 -34.9764 -22.2032 -22.1808 -22.1523 -22.1418 -22.1375 -17.6803 -17.5333 -17.4226 -17.1564 -17.0833 -16.9782 -13.1307 -12.9588 -11.5615 -8.1330 -5.0836 -4.6941 -4.1824 -2.8397 -2.5497 -2.0175 -1.7158 -1.4777 -0.2667 1.2703 1.7747 2.1802 2.6385 3.0388 3.8059 4.0475 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0067 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.5593 0.0000 ( 79686 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1552 -34.9762 -22.2031 -22.1810 -22.1523 -22.1407 -22.1384 -17.6790 -17.5351 -17.4244 -17.1579 -17.0841 -16.9785 -13.1158 -12.9627 -11.5605 -8.1412 -5.0923 -4.6872 -4.2120 -2.8181 -2.5690 -2.0174 -1.7092 -1.4799 -0.2733 1.2848 1.7756 2.1922 2.6516 3.0129 3.8168 4.0327 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0111 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.5774 0.0000 ( 79689 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1551 -34.9762 -22.2031 -22.1811 -22.1523 -22.1399 -22.1392 -17.6786 -17.5357 -17.4249 -17.1583 -17.0843 -16.9785 -13.1105 -12.9643 -11.5601 -8.1439 -5.0952 -4.6845 -4.2223 -2.8098 -2.5764 -2.0175 -1.7069 -1.4806 -0.2755 1.2896 1.7757 2.1964 2.6569 3.0033 3.8211 4.0265 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0131 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2656 0.4601 0.0000 ( 79637 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1578 -34.9777 -22.2037 -22.1789 -22.1524 -22.1464 -22.1345 -17.6889 -17.5170 -17.4056 -17.1433 -17.0746 -16.9761 -13.2526 -12.9480 -11.5717 -8.0501 -4.9917 -4.7150 -3.9353 -2.9629 -2.4467 -2.0204 -1.7675 -1.4660 -0.2021 1.1236 1.7515 2.0997 2.6072 3.1906 3.7440 4.0762 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2656 0.4781 0.0000 ( 79629 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7109 -47.7107 -35.1570 -34.9772 -22.2033 -22.1797 -22.1518 -22.1458 -22.1351 -17.6848 -17.5206 -17.4149 -17.1455 -17.0805 -16.9765 -13.2150 -12.9472 -11.5680 -8.0764 -5.0038 -4.7376 -4.0158 -2.9408 -2.4678 -2.0083 -1.7645 -1.4689 -0.2149 1.1728 1.7796 2.1094 2.5959 3.1682 3.7472 4.1085 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2656 0.4962 0.0000 ( 79659 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9245 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1563 -34.9768 -22.2029 -22.1805 -22.1515 -22.1450 -22.1358 -17.6807 -17.5244 -17.4226 -17.1478 -17.0850 -16.9769 -13.1806 -12.9487 -11.5649 -8.0990 -5.0188 -4.7456 -4.0919 -2.9138 -2.4915 -1.9995 -1.7586 -1.4727 -0.2278 1.2148 1.7984 2.1281 2.5945 3.1369 3.7545 4.1009 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2656 0.5142 0.0000 ( 79667 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1557 -34.9765 -22.2025 -22.1812 -22.1512 -22.1441 -22.1366 -17.6768 -17.5280 -17.4287 -17.1501 -17.0884 -16.9773 -13.1502 -12.9522 -11.5623 -8.1177 -5.0349 -4.7421 -4.1607 -2.8843 -2.5167 -1.9936 -1.7510 -1.4767 -0.2396 1.2492 1.8087 2.1519 2.6019 3.1007 3.7658 4.0656 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2656 0.5322 0.0000 ( 79677 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1552 -34.9763 -22.2023 -22.1818 -22.1510 -22.1431 -22.1375 -17.6735 -17.5312 -17.4331 -17.1521 -17.0907 -16.9776 -13.1247 -12.9571 -11.5604 -8.1320 -5.0494 -4.7315 -4.2188 -2.8555 -2.5415 -1.9901 -1.7433 -1.4805 -0.2494 1.2755 1.8131 2.1755 2.6152 3.0646 3.7799 4.0244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2656 0.5503 0.0000 ( 79677 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1549 -34.9761 -22.2020 -22.1821 -22.1509 -22.1420 -22.1385 -17.6711 -17.5337 -17.4360 -17.1536 -17.0921 -16.9778 -13.1059 -12.9620 -11.5591 -8.1417 -5.0602 -4.7193 -4.2621 -2.8312 -2.5626 -1.9883 -1.7369 -1.4836 -0.2564 1.2932 1.8144 2.1941 2.6299 3.0344 3.7944 3.9880 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0029 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2656 0.5683 0.0000 ( 79713 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1548 -34.9760 -22.2019 -22.1823 -22.1509 -22.1411 -22.1394 -17.6698 -17.5350 -17.4374 -17.1544 -17.0928 -16.9779 -13.0955 -12.9654 -11.5585 -8.1467 -5.0659 -4.7112 -4.2856 -2.8168 -2.5753 -1.9875 -1.7334 -1.4853 -0.2600 1.3022 1.8144 2.2042 2.6397 3.0167 3.8047 3.9659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0039 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2812 0.4871 0.0000 ( 79619 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1562 -34.9768 -22.2027 -22.1807 -22.1511 -22.1454 -22.1358 -17.6793 -17.5234 -17.4251 -17.1465 -17.0869 -16.9767 -13.1801 -12.9481 -11.5647 -8.0982 -5.0059 -4.7604 -4.0968 -2.9184 -2.4895 -1.9918 -1.7668 -1.4731 -0.2229 1.2152 1.8102 2.1224 2.5886 3.1455 3.7455 4.1069 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2812 0.5052 0.0000 ( 79642 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1556 -34.9765 -22.2021 -22.1816 -22.1504 -22.1449 -22.1366 -17.6740 -17.5266 -17.4335 -17.1477 -17.0920 -16.9770 -13.1486 -12.9512 -11.5619 -8.1167 -5.0137 -4.7654 -4.1735 -2.8922 -2.5128 -1.9785 -1.7666 -1.4777 -0.2313 1.2505 1.8290 2.1447 2.5910 3.1159 3.7481 4.0619 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2812 0.5232 0.0000 ( 79666 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1551 -34.9762 -22.2016 -22.1824 -22.1500 -22.1441 -22.1375 -17.6691 -17.5298 -17.4399 -17.1489 -17.0958 -16.9772 -13.1212 -12.9560 -11.5597 -8.1313 -5.0252 -4.7559 -4.2428 -2.8649 -2.5363 -1.9688 -1.7646 -1.4823 -0.2391 1.2785 1.8382 2.1711 2.6013 3.0833 3.7551 4.0090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2812 0.5413 0.0000 ( 79685 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1548 -34.9760 -22.2012 -22.1830 -22.1497 -22.1433 -22.1385 -17.6651 -17.5327 -17.4444 -17.1500 -17.0984 -16.9774 -13.0991 -12.9617 -11.5582 -8.1420 -5.0365 -4.7389 -4.3003 -2.8400 -2.5578 -1.9624 -1.7617 -1.4862 -0.2452 1.2988 1.8415 2.1951 2.6156 3.0529 3.7658 3.9608 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0011 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2812 0.5593 0.0000 ( 79691 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1546 -34.9759 -22.2010 -22.1833 -22.1495 -22.1424 -22.1394 -17.6625 -17.5347 -17.4470 -17.1507 -17.0998 -16.9775 -13.0842 -12.9666 -11.5572 -8.1485 -5.0445 -4.7228 -4.3399 -2.8218 -2.5737 -1.9589 -1.7593 -1.4888 -0.2492 1.3111 1.8422 2.2115 2.6283 3.0307 3.7771 3.9250 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2812 0.5774 0.0000 ( 79693 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1545 -34.9759 -22.2009 -22.1835 -22.1495 -22.1419 -22.1399 -17.6616 -17.5355 -17.4478 -17.1510 -17.1003 -16.9776 -13.0788 -12.9687 -11.5569 -8.1506 -5.0473 -4.7161 -4.3544 -2.8149 -2.5797 -1.9578 -1.7583 -1.4898 -0.2506 1.3152 1.8422 2.2173 2.6335 3.0224 3.7827 3.9110 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0017 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2969 0.5142 0.0000 ( 79655 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1551 -34.9762 -22.2014 -22.1826 -22.1495 -22.1446 -22.1375 -17.6676 -17.5293 -17.4423 -17.1477 -17.0977 -16.9771 -13.1200 -12.9556 -11.5595 -8.1311 -5.0163 -4.7646 -4.2512 -2.8681 -2.5345 -1.9603 -1.7730 -1.4828 -0.2356 1.2795 1.8470 2.1693 2.5966 3.0903 3.7453 4.0041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2969 0.5322 0.0000 ( 79696 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1547 -34.9760 -22.2008 -22.1834 -22.1488 -22.1441 -22.1385 -17.6619 -17.5322 -17.4488 -17.1478 -17.1019 -16.9772 -13.0957 -12.9615 -11.5577 -8.1421 -5.0241 -4.7478 -4.3213 -2.8444 -2.5553 -1.9459 -1.7776 -1.4875 -0.2397 1.3015 1.8556 2.1955 2.6085 3.0640 3.7467 3.9485 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2969 0.5503 0.0000 ( 79697 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1545 -34.9758 -22.2003 -22.1840 -22.1483 -22.1435 -22.1394 -17.6576 -17.5348 -17.4530 -17.1479 -17.1047 -16.9773 -13.0771 -12.9676 -11.5565 -8.1495 -5.0323 -4.7241 -4.3782 -2.8248 -2.5724 -1.9359 -1.7804 -1.4910 -0.2429 1.3163 1.8587 2.2167 2.6219 3.0417 3.7515 3.9040 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2969 0.5683 0.0000 ( 79679 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1543 -34.9758 -22.2001 -22.1843 -22.1481 -22.1430 -22.1401 -17.6552 -17.5363 -17.4551 -17.1480 -17.1061 -16.9773 -13.0666 -12.9719 -11.5559 -8.1532 -5.0372 -4.7060 -4.4121 -2.8132 -2.5824 -1.9309 -1.7817 -1.4929 -0.2446 1.3238 1.8596 2.2283 2.6309 3.0286 3.7565 3.8781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0010 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3125 0.5413 0.0000 ( 79671 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1544 -34.9758 -22.2001 -22.1843 -22.1478 -22.1441 -22.1394 -17.6559 -17.5349 -17.4551 -17.1468 -17.1065 -16.9772 -13.0747 -12.9680 -11.5563 -8.1498 -5.0284 -4.7230 -4.3922 -2.8257 -2.5719 -1.9264 -1.7893 -1.4918 -0.2408 1.3180 1.8642 2.2186 2.6198 3.0460 3.7411 3.8979 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3125 0.5593 0.0000 ( 79675 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1542 -34.9757 -22.1996 -22.1848 -22.1471 -22.1440 -22.1401 -17.6517 -17.5370 -17.4588 -17.1462 -17.1094 -16.9772 -13.0599 -12.9740 -11.5554 -8.1545 -5.0334 -4.6932 -4.4478 -2.8123 -2.5838 -1.9127 -1.7981 -1.4946 -0.2417 1.3280 1.8678 2.2347 2.6302 3.0329 3.7383 3.8641 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3125 0.5774 0.0000 ( 79679 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1542 -34.9757 -22.1994 -22.1850 -22.1468 -22.1439 -22.1404 -17.6503 -17.5378 -17.4600 -17.1459 -17.1104 -16.9772 -13.0544 -12.9766 -11.5551 -8.1561 -5.0354 -4.6783 -4.4711 -2.8073 -2.5882 -1.9076 -1.8015 -1.4956 -0.2421 1.3314 1.8687 2.2404 2.6343 3.0280 3.7375 3.8522 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3281 0.5683 0.0000 ( 79711 PWs) bands (ev): -47.9350 -47.9349 -47.9284 -47.9283 -47.9244 -47.7252 -47.7245 -47.7245 -47.7108 -47.7107 -35.1541 -34.9757 -22.1992 -22.1852 -22.1459 -22.1446 -22.1405 -17.6485 -17.5385 -17.4616 -17.1451 -17.1120 -16.9771 -13.0499 -12.9786 -11.5548 -8.1570 -5.0352 -4.6621 -4.4972 -2.8051 -2.5902 -1.8974 -1.8105 -1.4965 -0.2413 1.3339 1.8716 2.2448 2.6358 3.0280 3.7296 3.8444 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 the Fermi energy is -0.3547 ev ! total energy = -1784.37924631 Ry total all-electron energy = -34892.770280 Ry estimated scf accuracy < 5.5E-13 Ry smearing contrib. (-TS) = -0.00022887 Ry internal energy E=F+TS = -1784.37901744 Ry The total energy is F=E-TS. E is the sum of the following terms: one-electron contribution = -10089.42070003 Ry hartree contribution = 5049.43635206 Ry xc contribution = -147.31605839 Ry ewald contribution = 4347.03713182 Ry one-center paw contrib. = -944.11574290 Ry -> PAW hartree energy AE = 34.79717283 Ry -> PAW hartree energy PS = -34.60623212 Ry -> PAW xc energy AE = -207.39677208 Ry -> PAW xc energy PS = 17.41427366 Ry -> total E_H with PAW = 5049.62729277 Ry -> total E_XC with PAW = -337.29855681 Ry convergence has been achieved in 23 iterations negative rho (up, down): 3.709E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46675124 Ry ----------------------------------------------- Forces acting on atoms (cartesian axes, Ry/au): atom 1 type 1 force = 0.00000000 0.00000000 0.00047248 atom 2 type 1 force = 0.00000000 0.00000000 0.00017962 atom 3 type 3 force = 0.00000000 0.00000000 0.00006384 atom 4 type 4 force = 0.00000000 0.00000000 -0.00032075 atom 5 type 4 force = 0.00000000 0.00000000 -0.00006845 atom 6 type 2 force = 0.00000000 0.00000000 -0.00032673 The non-local contrib. to forces atom 1 type 1 force = 0.00000000 0.00000000 0.04768504 atom 2 type 1 force = 0.00000000 0.00000000 -0.09113831 atom 3 type 3 force = 0.00000000 0.00000000 0.02261508 atom 4 type 4 force = 0.00000000 0.00000000 -0.54854023 atom 5 type 4 force = 0.00000000 0.00000000 0.11299701 atom 6 type 2 force = 0.00000000 0.00000000 0.01570142 The ionic contribution to forces atom 1 type 1 force = 0.00000000 -0.00000000 -63.61693530 atom 2 type 1 force = -0.00000000 0.00000000 -113.57361935 atom 3 type 3 force = 0.00000000 -0.00000000 70.55216767 atom 4 type 4 force = -0.00000000 -0.00000000 171.98749076 atom 5 type 4 force = -0.00000000 0.00000000 -19.59275091 atom 6 type 2 force = 0.00000000 0.00000000 -45.75635287 The local contribution to forces atom 1 type 1 force = 0.00000001 -0.00000000 63.56990852 atom 2 type 1 force = -0.00000001 0.00000001 113.67061736 atom 3 type 3 force = 0.00000003 -0.00000002 -70.57949450 atom 4 type 4 force = 0.00000000 0.00000000 -171.44043709 atom 5 type 4 force = -0.00000013 0.00000007 19.48015261 atom 6 type 2 force = 0.00000000 -0.00000000 45.74119394 The core correction contribution to forces atom 1 type 1 force = -0.00000000 0.00000000 -0.00018543 atom 2 type 1 force = 0.00000000 -0.00000000 -0.00568010 atom 3 type 3 force = 0.00000000 -0.00000000 0.00477554 atom 4 type 4 force = 0.00000000 0.00000000 0.00116597 atom 5 type 4 force = -0.00000000 0.00000000 -0.00046865 atom 6 type 2 force = 0.00000000 0.00000000 -0.00086896 The Hubbard contrib. to forces atom 1 type 1 force = 0.00000000 0.00000000 0.00000000 atom 2 type 1 force = 0.00000000 0.00000000 0.00000000 atom 3 type 3 force = 0.00000000 0.00000000 0.00000000 atom 4 type 4 force = 0.00000000 0.00000000 0.00000000 atom 5 type 4 force = 0.00000000 0.00000000 0.00000000 atom 6 type 2 force = 0.00000000 0.00000000 0.00000000 The SCF correction term to forces atom 1 type 1 force = 0.00000000 -0.00000000 0.00000025 atom 2 type 1 force = -0.00000000 0.00000000 0.00000063 atom 3 type 3 force = -0.00000000 -0.00000000 0.00000066 atom 4 type 4 force = -0.00000000 0.00000000 0.00000045 atom 5 type 4 force = -0.00000000 -0.00000000 0.00000210 atom 6 type 2 force = 0.00000000 0.00000000 0.00000033 Total force = 0.000688 Total SCF correction = 0.000002 Computing stress (Cartesian axis) and pressure negative rho (up, down): 3.709E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46675124 Ry ----------------------------------------------- total stress (Ry/bohr**3) (kbar) P= 0.00 0.00000086 0.00000000 0.00000000 0.13 0.00 0.00 0.00000000 0.00000086 0.00000000 0.00 0.13 0.00 0.00000000 0.00000000 -0.00000171 0.00 0.00 -0.25 kinetic stress (kbar) 4661.00 -0.00 0.00 -0.00 4661.00 0.00 0.00 0.00 4642.06 local stress (kbar)-393954.62 -0.00 -0.00 -0.00-393954.62 0.00 -0.00 0.00 393034.45 nonloc. stress (kbar) -160.51 0.00 0.00 0.00 -160.51 0.00 0.00 -0.00 -157.78 hartree stress (kbar) 199610.64 0.00 -0.00 0.00 199610.64 -0.00 -0.00 -0.00-191933.87 exc-cor stress (kbar) 622.94 0.00 -0.00 0.00 622.94 0.00 -0.00 0.00 621.88 corecor stress (kbar) -2097.15 -0.00 0.00 -0.00 -2097.15 -0.00 0.00 -0.00 -2097.01 ewald stress (kbar) 191294.13 0.00 0.00 0.00 191294.13 -0.00 0.00 -0.00-204135.45 hubbard stress (kbar) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 DFT-D stress (kbar) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 XDM stress (kbar) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 dft-nl stress (kbar) 23.69 0.00 0.00 0.00 23.69 -0.00 0.00 -0.00 25.46 TS-vdW stress (kbar) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 MDB stress (kbar) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3D-RISM stress (kbar) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Writing all to output data dir ./out/srnsnse.save/ init_run : 37.09s CPU 38.90s WALL ( 1 calls) electrons : 2200.15s CPU 2308.65s WALL ( 1 calls) forces : 11.92s CPU 12.96s WALL ( 1 calls) stress : 53.62s CPU 56.52s WALL ( 1 calls) Called by init_run: wfcinit : 29.44s CPU 30.81s WALL ( 1 calls) wfcinit:atom : 0.85s CPU 0.85s WALL ( 374 calls) wfcinit:wfcr : 25.88s CPU 27.23s WALL ( 374 calls) potinit : 3.56s CPU 3.64s WALL ( 1 calls) hinit0 : 2.50s CPU 2.68s WALL ( 1 calls) Called by electrons: c_bands : 1857.72s CPU 1910.69s WALL ( 23 calls) sum_band : 306.80s CPU 342.73s WALL ( 23 calls) v_of_rho : 20.09s CPU 22.82s WALL ( 24 calls) v_h : 0.17s CPU 0.18s WALL ( 24 calls) v_xc : 21.30s CPU 24.22s WALL ( 26 calls) newd : 17.33s CPU 33.85s WALL ( 24 calls) PAW_pot : 1.24s CPU 1.28s WALL ( 24 calls) mix_rho : 0.07s CPU 0.52s WALL ( 23 calls) vdW_kernel : 2.23s CPU 2.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 32.65s CPU 32.89s WALL ( 18326 calls) init_us_2:cp : 32.57s CPU 32.84s WALL ( 18326 calls) cegterg : 1653.34s CPU 1698.97s WALL ( 8602 calls) Called by sum_band: sum_band:wei : 0.25s CPU 0.26s WALL ( 23 calls) sum_band:loo : 291.83s CPU 308.19s WALL ( 23 calls) sum_band:buf : 7.38s CPU 11.07s WALL ( 8602 calls) sum_band:ini : 14.99s CPU 15.19s WALL ( 8602 calls) sum_band:cal : 22.88s CPU 23.07s WALL ( 8602 calls) sum_band:bec : 0.55s CPU 0.55s WALL ( 8602 calls) addusdens : 14.64s CPU 33.83s WALL ( 23 calls) addusd:skk : 0.02s CPU 0.07s WALL ( 92 calls) addusd:dgemm : 0.62s CPU 11.64s WALL ( 92 calls) addusd:qvan2 : 13.60s CPU 15.07s WALL ( 92 calls) Called by *egterg: cdiaghg : 70.98s CPU 71.30s WALL ( 46271 calls) cegterg:over : 112.44s CPU 113.44s WALL ( 37669 calls) cegterg:upda : 82.04s CPU 82.31s WALL ( 37669 calls) cegterg:last : 100.82s CPU 101.02s WALL ( 17094 calls) h_psi : 1147.00s CPU 1190.68s WALL ( 46645 calls) s_psi : 77.80s CPU 78.07s WALL ( 46645 calls) g_psi : 4.32s CPU 4.35s WALL ( 37669 calls) Called by h_psi: h_psi:calbec : 79.32s CPU 80.65s WALL ( 46645 calls) vloc_psi : 960.38s CPU 1001.91s WALL ( 46645 calls) add_vuspsi : 88.14s CPU 88.42s WALL ( 46645 calls) General routines calbec : 115.10s CPU 117.24s WALL ( 57117 calls) fft : 10.77s CPU 12.14s WALL ( 1679 calls) ffts : 0.05s CPU 0.06s WALL ( 47 calls) fftw : 967.82s CPU 1012.61s WALL ( 2166106 calls) interpolate : 0.16s CPU 0.17s WALL ( 24 calls) Parallel routines PAW routines PAW_pot : 1.24s CPU 1.28s WALL ( 24 calls) PAW_symme : 0.03s CPU 0.03s WALL ( 47 calls) PWSCF : 38m30.84s CPU 40m35.13s WALL This run was terminated on: 19:34:11 22Sep2026 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=