<?xml version="1.0" encoding="UTF-8"?>
<qes:espresso xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:qes="http://www.quantum-espresso.org/ns/qes/qes-1.0" xsi:schemaLocation="http://www.quantum-espresso.org/ns/qes/qes-1.0 http://www.quantum-espresso.org/ns/qes/qes_250521.xsd" Units="Hartree atomic units">
<!-- All quantities are in Hartree atomic units unless otherwise specified -->
  <general_info>
    <xml_format NAME="QEXSD" VERSION="25.05.21">QEXSD_25.05.21</xml_format>
    <creator NAME="PWSCF" VERSION="7.5">XML file generated by PWSCF</creator>
    <created DATE="22Sep2026" TIME="22: 7:34">This run was terminated on:  22: 7:34  22 Sep 2026</created>
    <job></job>
  </general_info>
  <parallel_info>
    <nprocs>8</nprocs>
    <nthreads>1</nthreads>
    <ntasks>1</ntasks>
    <nbgrp>1</nbgrp>
    <npool>1</npool>
    <ndiag>8</ndiag>
  </parallel_info>
  <input>
    <control_variables>
      <title></title>
      <calculation>scf</calculation>
      <restart_mode>from_scratch</restart_mode>
      <prefix>al</prefix>
      <pseudo_dir>../pseudo</pseudo_dir>
      <outdir>./tmp</outdir>
      <stress>true</stress>
      <forces>true</forces>
      <wf_collect>true</wf_collect>
      <disk_io>low</disk_io>
      <max_seconds>10000000</max_seconds>
      <nstep>1</nstep>
      <etot_conv_thr>5.000000000000000E-005</etot_conv_thr>
      <forc_conv_thr>5.000000000000000E-004</forc_conv_thr>
      <press_conv_thr>5.000000000000000E-001</press_conv_thr>
      <verbosity>high</verbosity>
      <print_every>100000</print_every>
      <fcp>false</fcp>
      <rism>false</rism>
    </control_variables>
    <atomic_species ntyp="1">
      <species name="Al">
        <mass>2.698153850000000E+001</mass>
        <pseudo_file>Al.pz-vbc.UPF</pseudo_file>
      </species>
    </atomic_species>
    <atomic_structure nat="1" alat="5.28624874834184">
      <atomic_positions>
        <atom name="Al" index="1">0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000</atom>
      </atomic_positions>
      <cell>
        <a1>-3.737942336991418E+000  0.000000000000000E+000  3.737942336991418E+000</a1>
        <a2>0.000000000000000E+000  3.737942336991418E+000  3.737942336991418E+000</a2>
        <a3>-3.737942336991418E+000  3.737942336991418E+000  0.000000000000000E+000</a3>
      </cell>
    </atomic_structure>
    <dft>
      <functional>PZ</functional>
    </dft>
    <spin>
      <lsda>false</lsda>
      <noncolin>false</noncolin>
      <spinorbit>false</spinorbit>
    </spin>
    <bands>
      <nbnd>6</nbnd>
      <smearing degauss="1.000000000000000E-002">mv</smearing>
      <tot_charge>0.000000000000000E+000</tot_charge>
      <occupations>smearing</occupations>
    </bands>
    <basis>
      <gamma_only>false</gamma_only>
      <ecutwfc>2.000000000000000E+001</ecutwfc>
      <ecutrho>8.000000000000000E+001</ecutrho>
    </basis>
    <electron_control>
      <diagonalization>davidson</diagonalization>
      <mixing_mode>plain</mixing_mode>
      <mixing_beta>7.000000000000000E-001</mixing_beta>
      <conv_thr>5.000000000000000E-013</conv_thr>
      <mixing_ndim>8</mixing_ndim>
      <max_nstep>100</max_nstep>
      <exx_nstep>100</exx_nstep>
      <real_space_q>false</real_space_q>
      <real_space_beta>false</real_space_beta>
      <tq_smoothing>false</tq_smoothing>
      <tbeta_smoothing>false</tbeta_smoothing>
      <diago_thr_init>0.000000000000000E+000</diago_thr_init>
      <diago_full_acc>false</diago_full_acc>
      <diago_cg_maxiter>20</diago_cg_maxiter>
      <diago_rmm_ndim>4</diago_rmm_ndim>
      <diago_gs_nblock>16</diago_gs_nblock>
      <diago_rmm_conv>false</diago_rmm_conv>
    </electron_control>
    <k_points_IBZ>
      <monkhorst_pack nk1="16" nk2="16" nk3="16" k1="0" k2="0" k3="0">Monkhorst-Pack</monkhorst_pack>
    </k_points_IBZ>
    <ion_control>
      <ion_dynamics>none</ion_dynamics>
      <upscale>1.000000000000000E+002</upscale>
      <remove_rigid_rot>false</remove_rigid_rot>
      <refold_pos>false</refold_pos>
    </ion_control>
    <cell_control>
      <cell_dynamics>none</cell_dynamics>
      <pressure>0.000000000000000E+000</pressure>
      <wmass>0.000000000000000E+000</wmass>
      <cell_do_free>all</cell_do_free>
    </cell_control>
    <symmetry_flags>
      <nosym>false</nosym>
      <nosym_evc>false</nosym_evc>
      <noinv>false</noinv>
      <no_t_rev>false</no_t_rev>
      <force_symmorphic>false</force_symmorphic>
      <use_all_frac>false</use_all_frac>
    </symmetry_flags>
    <free_positions rank="2" dims="           3           1">
           1           1           1
    </free_positions>
    <twoch_>
      <twochem>false</twochem>
      <nbnd_cond>0</nbnd_cond>
      <degauss_cond>0.000000000000000E+000</degauss_cond>
      <nelec_cond>0.000000000000000E+000</nelec_cond>
    </twoch_>
  </input>
  <output>
    <convergence_info>
      <scf_conv>
        <convergence_achieved>true</convergence_achieved>
        <n_scf_steps>7</n_scf_steps>
        <scf_error>7.395477123141111E-016</scf_error>
      </scf_conv>
      <wf_collected>true</wf_collected>
    </convergence_info>
    <algorithmic_info>
      <real_space_q>false</real_space_q>
      <real_space_beta>false</real_space_beta>
      <uspp>false</uspp>
      <paw>false</paw>
    </algorithmic_info>
    <atomic_species ntyp="1" pseudo_dir="../pseudo/">
      <species name="Al">
        <mass>2.698153850000000E+001</mass>
        <pseudo_file>Al.pz-vbc.UPF</pseudo_file>
      </species>
    </atomic_species>
    <atomic_structure nat="1" num_of_atomic_wfc="4" alat="5.28624874834184">
      <atomic_positions>
        <atom name="Al" index="1">
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </atom>
      </atomic_positions>
      <cell>
        <a1>-3.737942336991418E+000  0.000000000000000E+000  3.737942336991418E+000</a1>
        <a2>0.000000000000000E+000  3.737942336991418E+000  3.737942336991418E+000</a2>
        <a3>-3.737942336991418E+000  3.737942336991418E+000  0.000000000000000E+000</a3>
      </cell>
    </atomic_structure>
    <symmetries>
      <nsym>48</nsym>
      <colin_mag>-1</colin_mag>
      <nrot>48</nrot>
      <space_group>0</space_group>
      <symmetry>
        <info name="identity" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [0,0,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [0,1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [1,0,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [1,1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [1,-1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name=" 90 deg rotation - cart. axis [0,0,-1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name=" 90 deg rotation - cart. axis [0,0,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [1,0,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [-1,0,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name=" 90 deg rotation - cart. axis [0,1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name=" 90 deg rotation - cart. axis [0,-1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [0,1,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [0,1,-1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name=" 90 deg rotation - cart. axis [-1,0,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name=" 90 deg rotation - cart. axis [1,0,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [-1,-1,-1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [-1,1,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [1,1,-1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [1,-1,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [1,1,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [-1,1,-1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [1,-1,-1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [-1,-1,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inversion" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [0,0,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [0,1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [1,0,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [1,1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [1,-1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv.  90 deg rotation - cart. axis [0,0,-1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv.  90 deg rotation - cart. axis [0,0,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [1,0,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [-1,0,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv.  90 deg rotation - cart. axis [0,1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv.  90 deg rotation - cart. axis [0,-1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [0,1,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [0,1,-1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv.  90 deg rotation - cart. axis [-1,0,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  1.000000000000000E+000
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv.  90 deg rotation - cart. axis [1,0,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
 -1.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000
  1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  1.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 120 deg rotation - cart. axis [-1,-1,-1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 120 deg rotation - cart. axis [-1,1,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 120 deg rotation - cart. axis [1,1,-1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 120 deg rotation - cart. axis [1,-1,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 120 deg rotation - cart. axis [1,1,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 120 deg rotation - cart. axis [-1,1,-1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 120 deg rotation - cart. axis [1,-1,-1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000 -1.000000000000000E+000
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 120 deg rotation - cart. axis [-1,-1,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="           3           3">
 -1.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  1.000000000000000E+000  1.000000000000000E+000  1.000000000000000E+000
  0.000000000000000E+000 -1.000000000000000E+000  0.000000000000000E+000
        </rotation>
        <fractional_translation>
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
        </fractional_translation>
        <equivalent_atoms size="1" nat="1">
           1
        </equivalent_atoms>
      </symmetry>
    </symmetries>
    <basis_set>
      <gamma_only>false</gamma_only>
      <ecutwfc>2.000000000000000E+001</ecutwfc>
      <ecutrho>8.000000000000000E+001</ecutrho>
      <fft_grid nr1="24" nr2="24" nr3="24"></fft_grid>
      <fft_smooth nr1="24" nr2="24" nr3="24"></fft_smooth>
      <fft_box nr1="24" nr2="24" nr3="24"></fft_box>
      <ngm>3527</ngm>
      <ngms>3527</ngms>
      <npwx>459</npwx>
      <reciprocal_lattice>
        <b1>
 -7.071067811865475E-001 -7.071067811865475E-001  7.071067811865475E-001
        </b1>
        <b2>7.071067811865475E-001  7.071067811865475E-001  7.071067811865475E-001</b2>
        <b3>-7.071067811865475E-001  7.071067811865475E-001 -7.071067811865475E-001</b3>
      </reciprocal_lattice>
    </basis_set>
    <dft>
      <functional>PZ</functional>
    </dft>
    <magnetization>
      <lsda>false</lsda>
      <noncolin>false</noncolin>
      <spinorbit>false</spinorbit>
      <absolute>0.000000000000000E+000</absolute>
    </magnetization>
    <total_energy>
      <etot>-2.095444804677739E+000</etot>
      <eband>4.208963322295987E-001</eband>
      <ehart>4.975360214231615E-003</ehart>
      <vtxc>-1.068258867232513E+000</vtxc>
      <etxc>-8.198327535252984E-001</etxc>
      <ewald>-2.759791045255384E+000</ewald>
      <demet>-8.464660836458673E-007</demet>
    </total_energy>
    <band_structure>
      <lsda>false</lsda>
      <noncolin>false</noncolin>
      <spinorbit>false</spinorbit>
      <nbnd>6</nbnd>
      <nelec>3.000000000000000E+000</nelec>
      <fermi_energy>3.091439366587119E-001</fermi_energy>
      <starting_k_points>
        <monkhorst_pack nk1="16" nk2="16" nk3="16" k1="0" k2="0" k3="0">Monkhorst-Pack</monkhorst_pack>
      </starting_k_points>
      <nks>145</nks>
      <occupations_kind>smearing</occupations_kind>
      <smearing degauss="1.000000000000000E-002">mv</smearing>
      <ks_energies>
        <k_point weight="4.882812500000000E-004">0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000</k_point>
        <npw>459</npw>
        <eigenvalues size="6">
 -1.163690898992110E-001  7.837259630820517E-001  7.837259738193958E-001
  8.359098447427521E-001  8.359102883021996E-001
  8.359102891692476E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="3.906250000000000E-003">
 -4.419417382415922E-002  4.419417382415922E-002 -4.419417382415922E-002
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
 -1.122458222944613E-001  7.149273183194054E-001  7.688959982802279E-001
  7.688960238436406E-001  8.570429840928675E-001
  8.570480016090265E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="3.906250000000000E-003">
 -8.838834764831843E-002  8.838834764831843E-002 -8.838834764831843E-002
        </k_point>
        <npw>450</npw>
        <eigenvalues size="6">
 -9.991519735403567E-002  6.199846736157393E-001  7.471056851632085E-001
  7.471056871042552E-001  8.614753371656372E-001
  8.951943155640099E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="3.906250000000000E-003">
 -1.325825214724776E-001  1.325825214724776E-001 -1.325825214724776E-001
        </k_point>
        <npw>459</npw>
        <eigenvalues size="6">
 -7.946182978001075E-002  5.263052605863145E-001  7.296686407881691E-001
  7.296686454009295E-001  8.553338243566863E-001
  9.041569529742143E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="3.906250000000000E-003">
 -1.767766952966369E-001  1.767766952966369E-001 -1.767766952966369E-001
        </k_point>
        <npw>450</npw>
        <eigenvalues size="6">
 -5.102038892894136E-002  4.370271441988814E-001  7.182687190851706E-001
  7.182687196138866E-001  8.502028890918603E-001
  8.641682586128565E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  3.194097414004917E-080  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="3.906250000000000E-003">
 -2.209708691207961E-001  2.209708691207961E-001 -2.209708691207961E-001
        </k_point>
        <npw>450</npw>
        <eigenvalues size="6">
 -1.478466188397086E-002  3.531882252502984E-001  7.132996030126599E-001
  7.132996038924128E-001  8.234883631558704E-001
  8.234883729975384E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  2.037348226753838E-012  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="3.906250000000000E-003">
 -2.651650429449553E-001  2.651650429449553E-001 -2.651650429449553E-001
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
  2.902056349684652E-002  2.753091899046926E-001  7.149059258735877E-001
  7.149059261018580E-001  7.884405574194968E-001
  7.884406936036472E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000232220318324E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="3.906250000000000E-003">
 -3.093592167691145E-001  3.093592167691145E-001 -3.093592167691145E-001
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
  8.010446715231098E-002  2.037657344466049E-001  7.231661647535466E-001
  7.231661648546974E-001  7.599393886627284E-001
  7.599393908973602E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.953125000000000E-003">
  3.535533905932737E-001 -3.535533905932737E-001  3.535533905932737E-001
        </k_point>
        <npw>434</npw>
        <eigenvalues size="6">
  1.339405602656919E-001  1.431154634804533E-001  7.375018967334719E-001
  7.375018967430578E-001  7.388394435037065E-001
  7.388394638387736E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.929687500000000E-003">
  0.000000000000000E+000  8.838834764831843E-002  0.000000000000000E+000
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
 -1.108723345499871E-001  7.374698455253159E-001  7.374698472779524E-001
  7.474709268091702E-001  8.245414973685308E-001
  8.903961549518296E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -4.419417382415922E-002  1.325825214724776E-001 -4.419417382415922E-002
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
 -1.012817691294093E-001  6.527604775055440E-001  7.107524543467414E-001
  7.506090938213792E-001  8.325908607223806E-001
  9.061072643849595E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -8.838834764831843E-002  1.767766952966369E-001 -8.838834764831843E-002
        </k_point>
        <npw>458</npw>
        <eigenvalues size="6">
 -8.354192193532863E-002  5.593516009510922E-001  6.902211064802745E-001
  7.404238699144196E-001  8.510173104785625E-001
  8.881403383265174E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -1.325825214724776E-001  2.209708691207961E-001 -1.325825214724776E-001
        </k_point>
        <npw>452</npw>
        <eigenvalues size="6">
 -5.776943607557337E-002  4.689793380062038E-001  6.762023635986038E-001
  7.295084430879384E-001  8.103637431747346E-001
  8.938627886489607E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -1.767766952966369E-001  2.651650429449553E-001 -1.767766952966369E-001
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
 -2.414204148640876E-002  3.835315932098221E-001  6.687880621337603E-001
  7.232558321004059E-001  7.667050274709761E-001
  8.880201345936272E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  6.070108672867770E-030  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -2.209708691207961E-001  3.093592167691145E-001 -2.209708691207961E-001
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
  1.712667623221605E-002  3.037870592868311E-001  6.680239763612605E-001
  7.219360093545375E-001  7.301620787107516E-001
  8.514381231388856E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  7.916162779790122E-001  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -2.651650429449552E-001  3.535533905932737E-001 -2.651650429449552E-001
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
  6.577130464378826E-002  2.302011331098808E-001  6.739495193315335E-001
  6.970582238277623E-001  7.304562376578951E-001
  8.209111590124363E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.977475644174330E-001 -3.093592167691145E-001  3.977475644174330E-001
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
  1.212284372444695E-001  1.633996312674075E-001  6.728556634377083E-001
  6.866114044990641E-001  7.437091556960100E-001
  7.969563810072131E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.535533905932737E-001 -2.651650429449552E-001  3.535533905932737E-001
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
  1.020987374161068E-001  1.847936371556231E-001  6.554376571468219E-001
  7.060403280824761E-001  7.638810033839136E-001
  7.797274421142537E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.093592167691145E-001 -2.209708691207961E-001  3.093592167691145E-001
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
  4.875715878945185E-002  2.540006964379571E-001  6.449027331911796E-001
  7.321399787380700E-001  7.693499951472824E-001
  7.907700579758770E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000031411E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  2.651650429449553E-001 -1.767766952966369E-001  2.651650429449553E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  2.536331986091651E-003  3.296532617054553E-001  6.412557496582501E-001
  7.609465985393773E-001  7.696614215448911E-001
  8.240245585672086E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  2.463077657594893E-004  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  2.209708691207961E-001 -1.325825214724776E-001  2.209708691207961E-001
        </k_point>
        <npw>451</npw>
        <eigenvalues size="6">
 -3.621232434080224E-002  4.112790187885099E-001  6.444885504970759E-001
  7.667925482099562E-001  8.057911890513929E-001
  8.617547322728634E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  6.412438018177448E-053  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  1.767766952966369E-001 -8.838834764831843E-002  1.767766952966369E-001
        </k_point>
        <npw>453</npw>
        <eigenvalues size="6">
 -6.724280043139388E-002  4.982505682027354E-001  6.546338753542198E-001
  7.755906603074969E-001  8.490400522125690E-001
  8.774179281358865E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  1.325825214724776E-001 -4.419417382415922E-002  1.325825214724776E-001
        </k_point>
        <npw>453</npw>
        <eigenvalues size="6">
 -9.035449713301739E-002  5.890251161585687E-001  6.720785388235120E-001
  7.887395960499693E-001  8.652151223547414E-001
  8.806748504073033E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="5.859375000000000E-003">
  8.838834764831843E-002  0.000000000000000E+000  8.838834764831843E-002
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
 -1.053899366293619E-001  6.738537683216996E-001  7.033537925978970E-001
  7.944043658462052E-001  8.421326477041123E-001
  8.750669715641286E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.929687500000000E-003">
  0.000000000000000E+000  1.767766952966369E-001  0.000000000000000E+000
        </k_point>
        <npw>451</npw>
        <eigenvalues size="6">
 -9.444672509796598E-002  6.808609500066164E-001  6.808609614057842E-001
  6.874810876947820E-001  7.964823879366772E-001
  8.606981935521726E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -4.419417382415922E-002  2.209708691207961E-001 -4.419417382415922E-002
        </k_point>
        <npw>456</npw>
        <eigenvalues size="6">
 -7.945627558106813E-002  5.961767886582013E-001  6.576571152116896E-001
  7.002776409483837E-001  7.943766633268308E-001
  8.069319800225985E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -8.838834764831843E-002  2.651650429449553E-001 -8.838834764831843E-002
        </k_point>
        <npw>451</npw>
        <eigenvalues size="6">
 -5.641270636702096E-002  5.065516153724560E-001  6.411683208383202E-001
  6.977584283198321E-001  7.453127970873127E-001
  8.407618492643421E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -1.325825214724776E-001  3.093592167691145E-001 -1.325825214724776E-001
        </k_point>
        <npw>446</npw>
        <eigenvalues size="6">
 -2.547446609202323E-002  4.203216248967534E-001  6.313808536812957E-001
  6.878648880577279E-001  7.024335921348805E-001
  8.946959909802490E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  7.490639384121462E-062  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -1.767766952966369E-001  3.535533905932737E-001 -1.767766952966369E-001
        </k_point>
        <npw>450</npw>
        <eigenvalues size="6">
  1.315452582271588E-002  3.391693253310076E-001  6.282847834994212E-001
  6.542282401896304E-001  6.940332693368616E-001
  9.212432776466506E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  4.987151999985349E-007  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -2.209708691207961E-001  3.977475644174329E-001 -2.209708691207961E-001
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
  5.922865974070662E-002  2.638547848111802E-001  6.207872425631835E-001
  6.318913595918985E-001  6.984708059420135E-001
  8.889882625639915E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000148498836E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  4.419417382415922E-001 -2.651650429449553E-001  4.419417382415922E-001
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
  1.123653873172210E-001  1.949287690269590E-001  5.939002109296123E-001
  6.422278711003121E-001  7.101356267041781E-001
  8.629705369569987E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.977475644174329E-001 -2.209708691207961E-001  3.977475644174329E-001
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
  1.314059525371670E-001  1.735979710411308E-001  5.739882185629688E-001
  6.593306189454466E-001  7.288628695571482E-001
  8.435428566600776E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.535533905932737E-001 -1.767766952966369E-001  3.535533905932737E-001
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
  7.619343302367476E-002  2.399918727434557E-001  5.612109670965233E-001
  6.832173396943193E-001  7.545126927860919E-001
  8.308153581964945E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.093592167691145E-001 -1.325825214724776E-001  3.093592167691145E-001
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  2.770101285295011E-002  3.130119103056408E-001  5.557287360915069E-001
  7.138272123464056E-001  7.868314809494448E-001
  8.247906015773661E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.814950988353593E-001  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  2.651650429449553E-001 -8.838834764831843E-002  2.651650429449553E-001
        </k_point>
        <npw>451</npw>
        <eigenvalues size="6">
 -1.344485512663720E-002  3.916079977140811E-001  5.578850551892314E-001
  7.508375562374685E-001  8.253189473084770E-001
  8.254026783429929E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  6.102703085869832E-036  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  2.209708691207961E-001 -4.419417382415922E-002  2.209708691207961E-001
        </k_point>
        <npw>453</npw>
        <eigenvalues size="6">
 -4.697221124813218E-002  4.738187420007997E-001  5.690719684185196E-001
  7.929281207119151E-001  8.311802675309928E-001
  8.694402181643640E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="5.859375000000000E-003">
  1.767766952966369E-001  0.000000000000000E+000  1.767766952966369E-001
        </k_point>
        <npw>451</npw>
        <eigenvalues size="6">
 -7.266560512245251E-002  5.484085152078216E-001  5.994094057823103E-001
  8.263847303016406E-001  8.348076784147079E-001
  8.881243399987861E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.929687500000000E-003">
  0.000000000000000E+000  2.651650429449553E-001  0.000000000000000E+000
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
 -6.723272694838506E-002  6.314454834060570E-001  6.319729172013382E-001
  6.319729173175097E-001  7.364626797273621E-001
  7.620134229370066E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -4.419417382415922E-002  3.093592167691145E-001 -4.419417382415922E-002
        </k_point>
        <npw>450</npw>
        <eigenvalues size="6">
 -4.696157092477218E-002  5.479698456059541E-001  6.131040554666367E-001
  6.521340795584747E-001  6.803602803339979E-001
  7.659237958945359E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -8.838834764831843E-002  3.535533905932737E-001 -8.838834764831843E-002
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
 -1.877721650882106E-002  4.627435840677256E-001  6.009919548086402E-001
  6.262193544845930E-001  6.595792247541901E-001
  8.064364604246603E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -1.325825214724776E-001  3.977475644174330E-001 -1.325825214724776E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  1.713036462107013E-002  3.809735898244592E-001  5.834312467149155E-001
  5.955949859518278E-001  6.586183006342002E-001
  8.655074902283036E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  3.670053951932789E-028  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -1.767766952966368E-001  4.419417382415921E-001 -1.767766952966368E-001
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  6.051914349735289E-002  3.043733106797344E-001  5.468693626691662E-001
  5.968991423680550E-001  6.623182244780651E-001
  9.319154041910722E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  7.508440876353389E-001  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  4.861359120657514E-001 -2.209708691207961E-001  4.861359120657514E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  1.110541592872726E-001  2.337644756916989E-001  5.172443295362144E-001
  6.049171471443568E-001  6.724036537227764E-001
  9.361131645875036E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  4.419417382415921E-001 -1.767766952966368E-001  4.419417382415921E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  1.632201873817052E-001  1.747921027633386E-001  4.948181581039531E-001
  6.196802316206156E-001  6.894343322867322E-001
  9.146343013400309E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.977475644174330E-001 -1.325825214724776E-001  3.977475644174330E-001
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  1.111166831338006E-001  2.332711451516338E-001  4.798749737079239E-001
  6.412262779824538E-001  7.134601049326339E-001
  8.997465235903352E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.535533905932737E-001 -8.838834764831843E-002  3.535533905932737E-001
        </k_point>
        <npw>442</npw>
        <eigenvalues size="6">
  6.053691737191945E-002  3.029521841328935E-001  4.729684112255947E-001
  6.695741547988152E-001  7.442634850639045E-001
  8.914020416231356E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  8.463870838142604E-001  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.093592167691145E-001 -4.419417382415922E-002  3.093592167691145E-001
        </k_point>
        <npw>441</npw>
        <eigenvalues size="6">
  1.713020774329678E-002  3.762047318104003E-001  4.760618946884098E-001
  7.046791261677896E-001  7.813860271188771E-001
  8.887309968860950E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.421419747458192E-025  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="5.859375000000000E-003">
  2.651650429449553E-001  0.000000000000000E+000  2.651650429449553E-001
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
 -1.878568428396425E-002  4.407393725063974E-001  5.008776958002926E-001
  7.463047350899822E-001  8.239353430992854E-001
  8.794879665197252E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.238891349426789E-084  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.929687500000000E-003">
  0.000000000000000E+000  3.535533905932737E-001  0.000000000000000E+000
        </k_point>
        <npw>456</npw>
        <eigenvalues size="6">
 -2.948442073518395E-002  5.842017927387306E-001  5.919134604935665E-001
  5.919134605180336E-001  6.181656602434780E-001
  7.279244611127129E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -4.419417382415922E-002  3.977475644174330E-001 -4.419417382415922E-002
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
 -4.098064883382935E-003  5.087288330492392E-001  5.642837578126225E-001
  5.775122183742940E-001  6.152013269083674E-001
  7.340931232232730E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -8.838834764831843E-002  4.419417382415922E-001 -8.838834764831843E-002
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
  2.901473757205779E-002  4.281489466106648E-001  5.180135693013745E-001
  5.698382017744807E-001  6.240454033731988E-001
  7.780361367715685E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  3.707078623063800E-070  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -1.325825214724776E-001  4.861359120657514E-001 -1.325825214724776E-001
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  6.962080155200462E-002  3.511028344674842E-001  4.785537346820324E-001
  5.688602289930365E-001  6.290684353655098E-001
  8.417040798353022E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.652631116339239E-011  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  5.303300858899106E-001 -1.767766952966369E-001  5.303300858899106E-001
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
  1.173820114147300E-001  2.793295685578373E-001  4.461896326095696E-001
  5.745760502268855E-001  6.381326172023842E-001
  9.145716989872131E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.001612902908540E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  4.861359120657514E-001 -1.325825214724776E-001  4.861359120657514E-001
        </k_point>
        <npw>446</npw>
        <eigenvalues size="6">
  1.713482716867993E-001  2.141279634727498E-001  4.212887345141220E-001
  5.870097257359723E-001  6.535297795379296E-001
  9.899013639266578E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  7.536034064057029E-063
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  4.419417382415922E-001 -8.838834764831843E-002  4.419417382415922E-001
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
  1.531938811712749E-001  2.335302067992643E-001  4.045050066031500E-001
  6.062022962994780E-001  6.758129885764435E-001
  9.758857560710128E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  1.079553242560654E-046
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.977475644174330E-001 -4.419417382415922E-002  3.977475644174330E-001
        </k_point>
        <npw>441</npw>
        <eigenvalues size="6">
  1.008100457326943E-001  2.976764982139083E-001  3.980102662559357E-001
  6.322009843886534E-001  7.049230569167659E-001
  9.654396823148261E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.061772195053531E+000  4.251228768956225E-041
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="5.859375000000000E-003">
  3.535533905932737E-001  0.000000000000000E+000  3.535533905932737E-001
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
  5.530232680141847E-002  3.528483002810974E-001  4.144618505366782E-001
  6.650353600399241E-001  7.404232251703289E-001
  9.533206436404188E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  2.882849892017481E-012  5.545543441541926E-056
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.929687500000000E-003">
  0.000000000000000E+000  4.419417382415922E-001  0.000000000000000E+000
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  1.845439912752712E-002  5.074652641829869E-001  5.469846439917242E-001
  5.608427944895541E-001  5.608427944927472E-001
  6.983938413512751E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -4.419417382415922E-002  4.861359120657514E-001 -4.419417382415922E-002
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  4.871399218938886E-002  4.564001931555963E-001  4.811088315765587E-001
  5.509101630667415E-001  5.852221843159777E-001
  7.083727815053702E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -8.838834764831840E-002  5.303300858899106E-001 -8.838834764831840E-002
        </k_point>
        <npw>446</npw>
        <eigenvalues size="6">
  8.643480151348980E-002  3.994025514619123E-001  4.204899283165423E-001
  5.476685828276853E-001  5.987180787400548E-001
  7.567812017509721E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  2.883382813992448E-042  5.029585111623704E-062
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  5.745242597140698E-001 -1.325825214724776E-001  5.745242597140698E-001
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
  1.312311930733124E-001  3.300032961673274E-001  3.828411897993270E-001
  5.511028935117779E-001  6.088413796625793E-001
  8.251603042915223E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  2.023652119638551E-004  1.860438976580124E-029
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  5.303300858899106E-001 -8.838834764831840E-002  5.303300858899106E-001
        </k_point>
        <npw>442</npw>
        <eigenvalues size="6">
  1.822491832879933E-001  2.639304838563430E-001  3.551823492787821E-001
  5.612279244678005E-001  6.231517578649868E-001
  9.032567806193847E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000157271467E+000  2.538189406205367E-013
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  4.861359120657514E-001 -4.419417382415922E-002  4.861359120657514E-001
        </k_point>
        <npw>448</npw>
        <eigenvalues size="6">
  2.017787061783069E-001  2.391808958021227E-001  3.380096332789571E-001
  5.780813497744106E-001  6.437785966996126E-001
  9.858878895554082E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  1.168740212216943E-006
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="5.859375000000000E-003">
  4.419417382415922E-001  0.000000000000000E+000  4.419417382415922E-001
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
  1.481990224632945E-001  2.848778325833045E-001  3.442194608222717E-001
  6.017189272174210E-001  6.711323809393706E-001
  1.046233978660908E+000
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.013228106942864E+000  8.956001498186911E-009
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.929687500000000E-003">
  0.000000000000000E+000  5.303300858899106E-001  0.000000000000000E+000
        </k_point>
        <npw>448</npw>
        <eigenvalues size="6">
  7.605566348315965E-002  4.051385396048844E-001  5.202312393719453E-001
  5.387283939626200E-001  5.387283939730434E-001
  6.758126859734319E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  2.936551546281760E-047  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -4.419417382415919E-002  5.745242597140698E-001 -4.419417382415919E-002
        </k_point>
        <npw>451</npw>
        <eigenvalues size="6">
  1.107509496352584E-001  3.596797105971728E-001  4.604648543410678E-001
  5.332362298106321E-001  5.653161557987669E-001
  6.903914185355795E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.710501409282011E-015  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  6.187184335382290E-001 -8.838834764831843E-002  6.187184335382290E-001
        </k_point>
        <npw>452</npw>
        <eigenvalues size="6">
  1.522060609510446E-001  3.215950435869472E-001  3.911281562284989E-001
  5.344076952752204E-001  5.833565073023541E-001
  7.436552170845376E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.170819855215622E-002  1.437776201346099E-035
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  5.745242597140698E-001 -4.419417382415919E-002  5.745242597140698E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  1.984797233889308E-001  2.911872365557734E-001  3.267570686659633E-001
  5.422469670528922E-001  5.985823878978904E-001
  8.167078898482032E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.060132838765594E+000  1.141695084391693E-003
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="5.859375000000000E-003">
  5.303300858899106E-001  0.000000000000000E+000  5.303300858899106E-001
        </k_point>
        <npw>440</npw>
        <eigenvalues size="6">
  2.366085101009049E-001  2.548758414379528E-001  2.960055234886054E-001
  5.567869029274078E-001  6.180902617070609E-001
  8.993706974576390E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000072088E+000  1.080647981017528E+000
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.929687500000000E-003">
  0.000000000000000E+000  6.187184335382290E-001  0.000000000000000E+000
        </k_point>
        <npw>452</npw>
        <eigenvalues size="6">
  1.420881522014760E-001  3.123455451689595E-001  5.041265381340923E-001
  5.254989485958195E-001  5.254989485964879E-001
  6.617001512211378E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  2.120129643917733E-001  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  6.629126073623882E-001 -4.419417382415924E-002  6.629126073623882E-001
        </k_point>
        <npw>450</npw>
        <eigenvalues size="6">
  1.787479040563159E-001  2.739914360342436E-001  4.504875874036510E-001
  5.244204372367525E-001  5.553565695018565E-001
  6.811657134435084E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000114301611227E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="5.859375000000000E-003">
  6.187184335382290E-001  0.000000000000000E+000  6.187184335382290E-001
        </k_point>
        <npw>450</npw>
        <eigenvalues size="6">
  2.077756661345044E-001  2.575904057947780E-001  3.857604989261922E-001
  5.299951611641691E-001  5.782076534930953E-001
  7.392223970659473E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000859638E+000  1.529598169561695E-031
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.464843750000000E-003">
  0.000000000000000E+000 -7.071067811865475E-001  0.000000000000000E+000
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  1.981878982567256E-001  2.473430001317893E-001  4.987508583103761E-001
  5.210965742725350E-001  5.210965742725926E-001
  6.569112471262183E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000034E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -8.838834764831843E-002  1.767766952966369E-001  0.000000000000000E+000
        </k_point>
        <npw>457</npw>
        <eigenvalues size="6">
 -8.899053908728961E-002  6.117406253771264E-001  6.506367457724352E-001
  7.632473943453124E-001  8.247704429130902E-001
  8.676572948661326E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
 -1.325825214724776E-001  2.209708691207961E-001 -4.419417382415922E-002
        </k_point>
        <npw>455</npw>
        <eigenvalues size="6">
 -6.859616200937715E-002  5.316632916822908E-001  6.205684319930124E-001
  7.665781932192337E-001  8.032029729001375E-001
  8.628740881404260E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
 -1.767766952966369E-001  2.651650429449553E-001 -8.838834764831843E-002
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
 -4.024054638780671E-002  4.450837151689315E-001  6.064158885519018E-001
  7.555419683254643E-001  7.606796145607855E-001
  9.025152572355943E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
 -2.209708691207961E-001  3.093592167691145E-001 -1.325825214724776E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
 -4.111950643781486E-003  3.622913031105316E-001  6.002269438757113E-001
  7.130828135041232E-001  7.574828393698038E-001
  8.722587191560914E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  7.116455624973508E-017  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
 -2.651650429449552E-001  3.535533905932737E-001 -1.767766952966368E-001
        </k_point>
        <npw>441</npw>
        <eigenvalues size="6">
  3.955898607505827E-002  2.849611493069821E-001  6.011698557807332E-001
  6.772194491662467E-001  7.599776009103769E-001
  8.374630988155392E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.013581595206641E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.977475644174330E-001 -3.093592167691145E-001  4.861359120657514E-001
        </k_point>
        <npw>446</npw>
        <eigenvalues size="6">
  9.047162367630726E-002  2.137751897457588E-001  6.088309551585898E-001
  6.485697442391264E-001  7.685724776732394E-001
  8.089551316272480E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.535533905932737E-001 -2.651650429449552E-001  4.419417382415921E-001
        </k_point>
        <npw>446</npw>
        <eigenvalues size="6">
  1.437025171688797E-001  1.537784937539501E-001  6.186092167318598E-001
  6.317902252364318E-001  7.789654798131830E-001
  7.918638494250065E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -8.838834764831843E-002  2.651650429449553E-001  0.000000000000000E+000
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
 -6.181851220930552E-002  5.583122461679078E-001  6.021466329456582E-001
  7.142940024411412E-001  7.411385820404155E-001
  7.968948102450025E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
 -1.325825214724776E-001  3.093592167691145E-001 -4.419417382415922E-002
        </k_point>
        <npw>450</npw>
        <eigenvalues size="6">
 -3.620223831887170E-002  4.831371732376648E-001  5.750324408369580E-001
  6.889260562710612E-001  7.246057853701260E-001
  8.272106788735784E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
 -1.767766952966369E-001  3.535533905932737E-001 -8.838834764831843E-002
        </k_point>
        <npw>448</npw>
        <eigenvalues size="6">
 -2.776358992947830E-003  4.010495506261351E-001  5.645882571640719E-001
  6.435050441269583E-001  7.248497396618754E-001
  8.806507621753605E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.136990779405302E-043  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
 -2.209708691207961E-001  3.977475644174329E-001 -1.325825214724776E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  3.823877836148276E-002  3.227095746369270E-001  5.618968208833695E-001
  6.055277311317034E-001  7.270714712852301E-001
  9.043485814156809E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  7.399871333257795E-003  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  4.419417382415922E-001 -2.651650429449553E-001  5.303300858899106E-001
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
  8.656312354292574E-002  2.499396406818944E-001  5.611121511609856E-001
  5.800185206154891E-001  7.347282543691158E-001
  8.765213232157012E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000544E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.977475644174329E-001 -2.209708691207961E-001  4.861359120657514E-001
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
  1.414922262565440E-001  1.838283852761695E-001  5.441729590069437E-001
  5.849433410885789E-001  7.487206570820646E-001
  8.526231439034051E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.535533905932737E-001 -1.767766952966369E-001  4.419417382415922E-001
        </k_point>
        <npw>441</npw>
        <eigenvalues size="6">
  1.226257680940815E-001  2.048557148869870E-001  5.276254718831324E-001
  6.037988507759962E-001  7.691392228000073E-001
  8.351729172957694E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.093592167691145E-001 -1.325825214724776E-001  3.977475644174330E-001
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
  6.967367915803097E-002  2.732127369288322E-001  5.177760513486946E-001
  6.303965908514242E-001  7.949917009920831E-001
  8.252219903221938E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000073924176637E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  2.651650429449553E-001 -8.838834764831843E-002  3.535533905932737E-001
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  2.374029828987752E-002  3.473625684043866E-001  5.156000285550912E-001
  6.640989352790514E-001  8.130561280433801E-001
  8.349761813371445E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.682210736081950E-010  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  2.209708691207961E-001 -4.419417382415922E-002  3.093592167691145E-001
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
 -1.477629829835677E-002  4.250671622147461E-001  5.228846359983349E-001
  7.046094410053229E-001  8.141578201805777E-001
  8.673476069660849E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  7.990878364435966E-067  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  1.767766952966369E-001  0.000000000000000E+000  2.651650429449553E-001
        </k_point>
        <npw>451</npw>
        <eigenvalues size="6">
 -4.562241767717437E-002  4.946061065207401E-001  5.505473875708174E-001
  7.514435934679835E-001  8.040164078411592E-001
  8.599300796479461E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -8.838834764831843E-002  3.535533905932737E-001  0.000000000000000E+000
        </k_point>
        <npw>451</npw>
        <eigenvalues size="6">
 -2.412665454919527E-002  5.142539616151589E-001  5.606412925205531E-001
  6.251632397159181E-001  6.716598859117902E-001
  7.634009458999804E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
 -1.325825214724776E-001  3.977475644174330E-001 -4.419417382415922E-002
        </k_point>
        <npw>448</npw>
        <eigenvalues size="6">
  6.530651915432126E-003  4.439509528972869E-001  5.359795397728466E-001
  5.782386766920031E-001  6.874672461106199E-001
  7.967469612353359E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
 -1.767766952966368E-001  4.419417382415921E-001 -8.838834764831840E-002
        </k_point>
        <npw>448</npw>
        <eigenvalues size="6">
  4.479982059638637E-002  3.664830466537516E-001  5.224438867815742E-001
  5.443717250999818E-001  6.931872336178582E-001
  8.552446489328114E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  3.832311640116321E-019  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  4.861359120657514E-001 -2.209708691207961E-001  5.745242597140698E-001
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  9.040676840699244E-002  2.928093238897075E-001  4.958438247210855E-001
  5.391583776665843E-001  7.004989832383117E-001
  9.204579041421654E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.074045534677468E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  4.419417382415921E-001 -1.767766952966368E-001  5.303300858899106E-001
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
  1.428712432779745E-001  2.249470369165745E-001  4.697578906271307E-001
  5.481432590133821E-001  7.131695584188726E-001
  9.254275017135096E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.977475644174330E-001 -1.325825214724776E-001  4.861359120657514E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  1.617095299499931E-001  2.036408448644028E-001  4.502842123029969E-001
  5.652580775216483E-001  7.321895251845185E-001
  9.069813364559547E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.535533905932737E-001 -8.838834764831843E-002  4.419417382415922E-001
        </k_point>
        <npw>438</npw>
        <eigenvalues size="6">
  1.072477925831089E-001  2.682158904027385E-001  4.386764337242625E-001
  5.897114688915150E-001  7.577130480400371E-001
  8.933292893990832E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000003352022878E+000  3.624439733634527E-082
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.093592167691145E-001 -4.419417382415922E-002  3.977475644174330E-001
        </k_point>
        <npw>439</npw>
        <eigenvalues size="6">
  5.922517925013022E-002  3.369451570364633E-001  4.371603418769058E-001
  6.212342347240509E-001  7.894357945036155E-001
  8.836878120614406E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  2.494779891094194E-006  2.229138548792721E-080
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  2.651650429449553E-001  0.000000000000000E+000  3.535533905932737E-001
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  1.845332011000266E-002  3.967368504034680E-001  4.579811372629740E-001
  6.596260418142117E-001  8.262947014642976E-001
  8.649014350902162E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  4.815169008422099E-040  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -8.838834764831843E-002  4.419417382415922E-001  0.000000000000000E+000
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  2.373851250876992E-002  4.798301772797896E-001  5.075836133275082E-001
  5.359717707059979E-001  6.380127064947769E-001
  7.349686989051247E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
 -1.325825214724776E-001  4.861359120657514E-001 -4.419417382415919E-002
        </k_point>
        <npw>446</npw>
        <eigenvalues size="6">
  5.918174629569378E-002  4.139326755587175E-001  4.664268213698737E-001
  5.144824573041713E-001  6.588006260700108E-001
  7.722908986676871E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.816802350008482E-055  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  5.303300858899106E-001 -1.767766952966369E-001  6.187184335382290E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  1.019465063964349E-001  3.413208500510145E-001  4.306661677983381E-001
  5.117381956245441E-001  6.696030594932882E-001
  8.354395878005583E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  9.571671290464761E-008  6.094629070503919E-073
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  4.861359120657514E-001 -1.325825214724776E-001  5.745242597140698E-001
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  1.515576769443430E-001  2.726741153168948E-001  4.011775525616704E-001
  5.187161873821515E-001  6.819050828852160E-001
  9.095350472565664E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000054286020547E+000  8.823531761825725E-044
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  4.419417382415922E-001 -8.838834764831843E-002  5.303300858899106E-001
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
  2.020847664050100E-001  2.149707115035467E-001  3.794571536957407E-001
  5.335528158100491E-001  6.995216626882610E-001
  9.745179825231938E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  3.925852644407813E-027
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.977475644174330E-001 -4.419417382415922E-002  4.861359120657514E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  1.519636683270276E-001  2.682029553780890E-001  3.678747471107732E-001
  5.557384256734779E-001  7.234109226671182E-001
  9.687447090755177E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000003323081331E+000  6.258193067429485E-020
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.535533905932737E-001  0.000000000000000E+000  4.419417382415922E-001
        </k_point>
        <npw>438</npw>
        <eigenvalues size="6">
  1.020895202606901E-001  3.188073908615487E-001  3.794081459967271E-001
  5.850305831300826E-001  7.536076762777624E-001
  9.453577515824267E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  3.322468403760921E-002  4.235104737257581E-027
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -8.838834764831840E-002  5.303300858899106E-001  0.000000000000000E+000
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
  8.124847127017001E-002  4.093556688519854E-001  4.551710563924941E-001
  5.090902877284700E-001  6.138948531452337E-001
  7.133861762352685E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  4.124354159213010E-051  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  5.745242597140698E-001 -1.325825214724776E-001  6.629126073623882E-001
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
  1.210084163162397E-001  3.675319665980718E-001  3.975216863197779E-001
  4.939332306424043E-001  6.394684365692944E-001
  7.552775876524775E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  9.814182590812297E-020  1.082959549328342E-040
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  5.303300858899106E-001 -8.838834764831840E-002  6.187184335382290E-001
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
  1.673184890055148E-001  3.211868262173737E-001  3.446029028409240E-001
  4.969105693629732E-001  6.552005937184513E-001
  8.230782176104392E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.376799648466955E-002  6.465195395918647E-009
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  4.861359120657514E-001 -4.419417382415922E-002  5.745242597140698E-001
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  2.178358060179916E-001  2.614277060876913E-001  3.186828170249327E-001
  5.089994858382183E-001  6.724272290984987E-001
  9.024148634070490E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000022170464E+000  3.468937480812891E-002
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  4.419417382415922E-001  0.000000000000000E+000  5.303300858899106E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  2.032784820087959E-001  2.607088441601411E-001  3.187154511617091E-001
  5.287518967579565E-001  6.948882859591434E-001
  9.848899717935249E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000012336680E+000  3.430052586500656E-002
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  6.187184335382290E-001 -8.838834764831849E-002  7.071067811865475E-001
        </k_point>
        <npw>452</npw>
        <eigenvalues size="6">
  1.471514500605636E-001  3.171749678311306E-001  4.403498091353742E-001
  4.947921999713809E-001  5.994212279040099E-001
  6.999602298735761E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.712507522140049E-002  3.644018742329829E-084
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  5.745242597140697E-001 -4.419417382415924E-002  6.629126073623882E-001
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
  1.886388940682399E-001  2.838451964740881E-001  3.862644128274252E-001
  4.841877789468131E-001  6.297564417586194E-001
  7.465724916229095E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.009415329620883E+000  6.564154196994544E-032
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  5.303300858899105E-001 -5.551115123125783E-017  6.187184335382290E-001
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
  2.221783968911643E-001  2.715949659470358E-001  3.256173793463326E-001
  4.920499171166720E-001  6.503652151707504E-001
  8.188872151457660E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000028721087118E+000  1.995781912147554E-003
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="5.859375000000000E-003">
 -8.838834764831849E-002 -7.071067811865475E-001  0.000000000000000E+000
        </k_point>
        <npw>454</npw>
        <eigenvalues size="6">
  2.029800254645902E-001  2.525380960270440E-001  4.354051268870058E-001
  4.900765500145938E-001  5.945984407418510E-001
  6.954077940876562E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000007571E+000  2.478834225891610E-078
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -1.767766952966369E-001  3.535533905932737E-001  0.000000000000000E+000
        </k_point>
        <npw>448</npw>
        <eigenvalues size="6">
 -8.101381855951512E-003  4.505329126483076E-001  5.083521038230152E-001
  6.393245099678939E-001  7.644568348712555E-001
  8.326431015832259E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
 -2.209708691207961E-001  3.977475644174329E-001 -4.419417382415919E-002
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  2.769984550706115E-002  3.858399087956035E-001  4.842570955667803E-001
  5.960572943147724E-001  7.815848091519568E-001
  8.705026399737674E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.339142564404786E-031  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  4.419417382415922E-001 -2.651650429449553E-001  6.187184335382290E-001
        </k_point>
        <npw>442</npw>
        <eigenvalues size="6">
  7.095924957235759E-002  3.127110048577462E-001  4.809608202436586E-001
  5.599001295564114E-001  7.890489303809298E-001
  8.685012864638727E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.948843395521442E-001  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.977475644174329E-001 -2.209708691207961E-001  5.745242597140698E-001
        </k_point>
        <npw>446</npw>
        <eigenvalues size="6">
  1.213308229277456E-001  2.432418876730591E-001  4.863132826074271E-001
  5.318969764064816E-001  7.987652637008604E-001
  8.427146112086337E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.535533905932737E-001 -1.767766952966369E-001  5.303300858899106E-001
        </k_point>
        <npw>442</npw>
        <eigenvalues size="6">
  1.729746844874768E-001  1.851286211515361E-001  4.925705949864276E-001
  5.181756384892069E-001  8.076119732789053E-001
  8.279091128236080E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
 -1.767766952966368E-001  4.419417382415921E-001  0.000000000000000E+000
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  3.954601044512469E-002  4.162491172677834E-001  4.725368567244106E-001
  5.329840395832881E-001  7.315011409296235E-001
  8.074227462654902E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  9.668177533312241E-058  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  4.861359120657514E-001 -2.209708691207961E-001  6.629126073623882E-001
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  8.002848714121186E-002  3.562327116590420E-001  4.511562032428923E-001
  4.956401912705070E-001  7.543765749806481E-001
  8.533663650884926E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  8.207028796626905E-014  5.520948362159764E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  4.419417382415921E-001 -1.767766952966368E-001  6.187184335382290E-001
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
  1.276388905836973E-001  2.878048464575568E-001  4.434787938829581E-001
  4.730582720922941E-001  7.675605711240998E-001
  9.051884647726638E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.030288234635064E+000  5.767238080824632E-088
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.977475644174330E-001 -1.325825214724776E-001  5.745242597140698E-001
        </k_point>
        <npw>442</npw>
        <eigenvalues size="6">
  1.813889182235755E-001  2.237094723837423E-001  4.274366384440547E-001
  4.761214749309793E-001  7.831731800818795E-001
  8.943468475076599E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  2.222617615054575E-069
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.535533905932737E-001 -8.838834764831843E-002  5.303300858899106E-001
        </k_point>
        <npw>443</npw>
        <eigenvalues size="6">
  1.631701042141600E-001  2.434573581969203E-001  4.126672239819685E-001
  4.939884126629160E-001  8.038425593065459E-001
  8.768212092074812E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  3.032970829450802E-054
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.093592167691145E-001 -4.419417382415922E-002  4.861359120657514E-001
        </k_point>
        <npw>439</npw>
        <eigenvalues size="6">
  1.110679764185438E-001  3.074134256738817E-001  4.067483528546896E-001
  5.206504123852649E-001  8.291819691013917E-001
  8.619447121945023E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.249895052672615E-001  1.036216820096168E-048
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  2.651650429449553E-001  0.000000000000000E+000  4.419417382415921E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  6.574133362740037E-002  3.625739002040638E-001  4.230900602134779E-001
  5.548577326974524E-001  8.344641554831771E-001
  8.566981316224498E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.059461702949933E-017  9.949143317589594E-065
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  5.303300858899106E-001 -1.767766952966369E-001  7.071067811865475E-001
        </k_point>
        <npw>454</npw>
        <eigenvalues size="6">
  9.678252329412013E-002  3.917663153550435E-001  4.182684072496500E-001
  4.617057979455862E-001  7.075255879584634E-001
  7.877612985728986E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  4.595057867887948E-036  9.227015046181308E-060
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  4.861359120657514E-001 -1.325825214724776E-001  6.629126073623882E-001
        </k_point>
        <npw>442</npw>
        <eigenvalues size="6">
  1.414310948144560E-001  3.358547344281769E-001  3.877224358106209E-001
  4.435629884481468E-001  7.356440769104728E-001
  8.387156486673060E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.299979668116848E-006  5.517287390704903E-033
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  4.419417382415922E-001 -8.838834764831843E-002  6.187184335382290E-001
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  1.922605780965423E-001  2.725430305712223E-001  3.631324087629351E-001
  4.480479260159503E-001  7.540067496900227E-001
  9.098009378764189E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000050310539951E+000  2.565963136740318E-017
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.977475644174330E-001 -4.419417382415922E-002  5.745242597140698E-001
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  2.113642030155357E-001  2.489540678339415E-001  3.469463599024865E-001
  4.640203538974385E-001  7.745766190016059E-001
  9.516494985333366E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000193E+000  8.279479146144755E-010
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.535533905932737E-001  0.000000000000000E+000  5.303300858899106E-001
        </k_point>
        <npw>440</npw>
        <eigenvalues size="6">
  1.582071637437343E-001  2.945490420447572E-001  3.533399973344060E-001
  4.885238542938600E-001  8.000950227063233E-001
  9.239277224896183E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.082840609239577E+000  1.743564604381150E-012
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  5.303300858899105E-001 -8.838834764831843E-002  7.071067811865475E-001
        </k_point>
        <npw>448</npw>
        <eigenvalues size="6">
  1.622986519490490E-001  3.311552370590786E-001  3.770811880408971E-001
  4.421314769960147E-001  6.930475515461227E-001
  7.754270331579343E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.042060941753484E-004  1.466985050348193E-025
  2.558042448581196E-086  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  4.861359120657514E-001 -4.419417382415924E-002  6.629126073623882E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  2.083423047196704E-001  3.013317190629758E-001  3.303278449889511E-001
  4.311997266432271E-001  7.261630132269008E-001
  8.309181423409226E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  9.384953474890289E-001  1.682956584233742E-004
  1.540826886626923E-073  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  4.419417382415921E-001 -2.775557561562891E-017  6.187184335382290E-001
        </k_point>
        <npw>441</npw>
        <eigenvalues size="6">
  2.462356528908241E-001  2.639927516216568E-001  3.046728524688546E-001
  4.423633045352422E-001  7.494156694066931E-001
  9.076231226092935E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000010E+000  1.000000164860343E+000  7.294164396142634E-001
  1.335513694709437E-086  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="5.859375000000000E-003">
 -1.767766952966369E-001 -7.071067811865475E-001  0.000000000000000E+000
        </k_point>
        <npw>452</npw>
        <eigenvalues size="6">
  2.173736930799526E-001  2.678148701029552E-001  3.721870179554645E-001
  4.366452822814445E-001  6.882103239050978E-001
  7.712329799748698E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000002557768052E+000  1.782460049458282E-022
  8.939899345191702E-080  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  4.419417382415921E-001 -1.767766952966368E-001  7.071067811865475E-001
        </k_point>
        <npw>442</npw>
        <eigenvalues size="6">
  1.225232804339274E-001  3.382113646093157E-001  3.948670449959691E-001
  4.579373778154371E-001  8.111128564634644E-001
  8.669883121438533E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.009742020737371E-006  1.602722472587841E-038
  5.520948362159764E-088  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.977475644174330E-001 -1.325825214724776E-001  6.629126073623883E-001
        </k_point>
        <npw>448</npw>
        <eigenvalues size="6">
  1.717972296835361E-001  2.876337429254951E-001  3.820259615976645E-001
  4.300490786096322E-001  8.400617247660878E-001
  8.825047612021939E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.029021412621525E+000  6.896808438238912E-029
  2.968585301525651E-072  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.535533905932737E-001 -8.838834764831843E-002  6.187184335382291E-001
        </k_point>
        <npw>446</npw>
        <eigenvalues size="6">
  2.214369830119172E-001  2.340449184045264E-001  3.842440612572925E-001
  4.177330975847827E-001  8.514013020017110E-001
  8.730675280353311E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000000000000000E+000  1.891869767605613E-030
  3.192156912167249E-059  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  4.419417382415921E-001 -8.838834764831846E-002  7.071067811865475E-001
        </k_point>
        <npw>445</npw>
        <eigenvalues size="6">
  1.873826828296517E-001  3.236109967688406E-001  3.492939281762016E-001
  3.971600354676124E-001  7.968266576929155E-001
  8.605344743456034E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  5.016794735045006E-003  9.468828950964279E-011
  2.157117040910407E-040  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.343750000000000E-002">
  3.977475644174329E-001 -4.419417382415924E-002  6.629126073623882E-001
        </k_point>
        <npw>449</npw>
        <eigenvalues size="6">
  2.374953311759285E-001  2.771260538481979E-001  3.318501666304008E-001
  3.875577085035058E-001  8.318977020525515E-001
  9.142140870667939E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.000581525820218E+000  6.894782113976608E-005
  7.314008079224216E-033  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="1.171875000000000E-002">
  3.535533905932737E-001 -2.775557561562891E-017  6.187184335382290E-001
        </k_point>
        <npw>447</npw>
        <eigenvalues size="6">
  2.220342636708428E-001  2.800184314480055E-001  3.345190380034340E-001
  4.021453451090876E-001  8.556994727717846E-001
  9.101426154315408E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.002172280622923E+000  1.291839701286076E-005
  1.283769286825364E-044  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="5.859375000000000E-003">
 -2.651650429449552E-001 -7.071067811865475E-001  0.000000000000000E+000
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  2.414160272016474E-001  2.914808134807743E-001  3.187474874024413E-001
  3.870534349803184E-001  7.920345473951282E-001
  8.575143714936193E-001
        </eigenvalues>
        <occupations size="6">
  1.000000000000000E+000  1.062843544955375E+000  3.392237220482631E-002
  1.727746985012014E-032  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
      <ks_energies>
        <k_point weight="2.929687500000000E-003">
 -3.535533905932737E-001 -7.071067811865475E-001  0.000000000000000E+000
        </k_point>
        <npw>444</npw>
        <eigenvalues size="6">
  2.751792851854585E-001  2.751792851854585E-001  3.103953909507773E-001
  3.592009131240947E-001  9.054702977590356E-001
  9.054854719865435E-001
        </eigenvalues>
        <occupations size="6">
  1.000216894682419E+000  1.000216894682419E+000  3.191728598890696E-001
  3.007409077187776E-015  5.520948362159764E-088
  5.520948362159764E-088
        </occupations>
      </ks_energies>
    </band_structure>
    <forces rank="2" dims="           3           1">
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
    </forces>
    <stress rank="2" dims="           3           3">
  7.200366774490440E-008 -9.926167350636332E-024  3.970466940254533E-023
 -6.617444900424221E-024  7.200366774490438E-008  3.308722450212111E-024
  2.646977960169689E-023  0.000000000000000E+000  7.200366774490441E-008
    </stress>
  </output>
  <exit_status>0</exit_status>
  <timing_info>
    <total label="PWSCF">
      <cpu>1.291232000000000E+000</cpu>
      <wall>1.511842012405396E+000</wall>
    </total>
    <partial label="init_run" calls="1">
      <cpu>4.974899999999999E-002</cpu>
      <wall>6.771087646484375E-002</wall>
    </partial>
    <partial label="hinit0" calls="1">
      <cpu>4.589999999999872E-004</cpu>
      <wall>2.861976623535156E-003</wall>
    </partial>
    <partial label="init_vloc" calls="1">
      <cpu>2.389999999999892E-004</cpu>
      <wall>3.871917724609375E-004</wall>
    </partial>
    <partial label="init_us_1" calls="1">
      <cpu>8.900000000000574E-005</cpu>
      <wall>2.400875091552734E-004</wall>
    </partial>
    <partial label="fft" calls="29">
      <cpu>8.400000000001739E-004</cpu>
      <wall>2.667188644409180E-003</wall>
    </partial>
    <partial label="fft_scatter" calls="42967">
      <cpu>2.549319999999935E-001</cpu>
      <wall>2.956850528717041E-001</wall>
    </partial>
    <partial label="potinit" calls="1">
      <cpu>2.480000000000121E-004</cpu>
      <wall>8.511543273925781E-004</wall>
    </partial>
    <partial label="v_of_rho" calls="8">
      <cpu>9.349999999996861E-004</cpu>
      <wall>1.254796981811523E-003</wall>
    </partial>
    <partial label="v_xc" calls="8">
      <cpu>5.539999999999434E-004</cpu>
      <wall>8.180141448974609E-004</wall>
    </partial>
    <partial label="v_h" calls="8">
      <cpu>3.509999999999902E-004</cpu>
      <wall>4.053115844726562E-004</wall>
    </partial>
    <partial label="wfcinit" calls="1">
      <cpu>4.565400000000000E-002</cpu>
      <wall>5.631208419799805E-002</wall>
    </partial>
    <partial label="init_us_2" calls="2755">
      <cpu>1.524900000000673E-002</cpu>
      <wall>1.744413375854492E-002</wall>
    </partial>
    <partial label="wfcinit:atom" calls="145">
      <cpu>8.830000000000504E-004</cpu>
      <wall>1.064300537109375E-003</wall>
    </partial>
    <partial label="atomic_wfc" calls="145">
      <cpu>6.220000000000808E-004</cpu>
      <wall>7.536411285400391E-004</wall>
    </partial>
    <partial label="wfcinit:wfcr" calls="145">
      <cpu>4.305199999999998E-002</cpu>
      <wall>5.306863784790039E-002</wall>
    </partial>
    <partial label="wfcrot" calls="145">
      <cpu>4.278700000000021E-002</cpu>
      <wall>5.274963378906250E-002</wall>
    </partial>
    <partial label="rotwfck" calls="145">
      <cpu>4.248100000000005E-002</cpu>
      <wall>5.237746238708496E-002</wall>
    </partial>
    <partial label="rotwfck:hpsi" calls="145">
      <cpu>3.813900000000006E-002</cpu>
      <wall>4.695630073547363E-002</wall>
    </partial>
    <partial label="h_psi_bgrp" calls="3869">
      <cpu>8.099749999999966E-001</cpu>
      <wall>9.393625259399414E-001</wall>
    </partial>
    <partial label="h_psi" calls="3869">
      <cpu>8.020040000000030E-001</cpu>
      <wall>9.303035736083984E-001</wall>
    </partial>
    <partial label="h_psi:pot" calls="3869">
      <cpu>7.922999999999987E-001</cpu>
      <wall>9.189147949218750E-001</wall>
    </partial>
    <partial label="vloc_psi" calls="3869">
      <cpu>7.342819999999992E-001</cpu>
      <wall>8.514053821563721E-001</wall>
    </partial>
    <partial label="fftw" calls="42930">
      <cpu>7.761899999999557E-001</cpu>
      <wall>8.971235752105713E-001</wall>
    </partial>
    <partial label="h_psi:calbec" calls="3869">
      <cpu>3.005499999999706E-002</cpu>
      <wall>3.501009941101074E-002</wall>
    </partial>
    <partial label="calbec" calls="6334">
      <cpu>3.259800000000723E-002</cpu>
      <wall>3.741550445556641E-002</wall>
    </partial>
    <partial label="add_vuspsi" calls="3869">
      <cpu>1.162799999999931E-002</cpu>
      <wall>1.388430595397949E-002</wall>
    </partial>
    <partial label="rotwfck:hc" calls="145">
      <cpu>1.330999999999916E-003</cpu>
      <wall>1.620054244995117E-003</wall>
    </partial>
    <partial label="rotwfck:diag" calls="145">
      <cpu>1.805000000000057E-003</cpu>
      <wall>2.348184585571289E-003</wall>
    </partial>
    <partial label="cdiaghg" calls="3579">
      <cpu>1.007940000000009E-001</cpu>
      <wall>1.176018714904785E-001</wall>
    </partial>
    <partial label="rotwfck:evc" calls="145">
      <cpu>3.960000000000630E-004</cpu>
      <wall>4.899501800537109E-004</wall>
    </partial>
    <partial label="electrons" calls="1">
      <cpu>1.195660000000000E+000</cpu>
      <wall>1.384476900100708E+000</wall>
    </partial>
    <partial label="c_bands" calls="8">
      <cpu>1.016768000000000E+000</cpu>
      <wall>1.179532051086426E+000</wall>
    </partial>
    <partial label="cegterg" calls="1160">
      <cpu>9.894509999999999E-001</cpu>
      <wall>1.145744562149048E+000</wall>
    </partial>
    <partial label="cegterg:init" calls="1160">
      <cpu>1.703499999999947E-002</cpu>
      <wall>2.025485038757324E-002</wall>
    </partial>
    <partial label="cegterg:upda" calls="2564">
      <cpu>9.087999999999319E-003</cpu>
      <wall>1.073694229125977E-002</wall>
    </partial>
    <partial label="g_psi" calls="2564">
      <cpu>4.445000000000920E-003</cpu>
      <wall>5.166530609130859E-003</wall>
    </partial>
    <partial label="cegterg:over" calls="2564">
      <cpu>4.031200000000168E-002</cpu>
      <wall>4.733347892761230E-002</wall>
    </partial>
    <partial label="cegterg:diag" calls="3434">
      <cpu>1.074800000000047E-001</cpu>
      <wall>1.245276927947998E-001</wall>
    </partial>
    <partial label="cegterg:last" calls="2078">
      <cpu>1.047399999999921E-002</cpu>
      <wall>1.225733757019043E-002</wall>
    </partial>
    <partial label="sum_band" calls="8">
      <cpu>1.760539999999999E-001</cpu>
      <wall>1.961069107055664E-001</wall>
    </partial>
    <partial label="sum_band:wei" calls="8">
      <cpu>1.124799999999992E-002</cpu>
      <wall>1.136016845703125E-002</wall>
    </partial>
    <partial label="sum_band:loo" calls="8">
      <cpu>1.636980000000001E-001</cpu>
      <wall>1.836371421813965E-001</wall>
    </partial>
    <partial label="sum_band:buf" calls="1160">
      <cpu>1.785999999996957E-003</cpu>
      <wall>1.984357833862305E-003</wall>
    </partial>
    <partial label="sum_band:ini" calls="1160">
      <cpu>8.634999999994619E-003</cpu>
      <wall>9.661436080932617E-003</wall>
    </partial>
    <partial label="ffts" calls="8">
      <cpu>2.369999999998207E-004</cpu>
      <wall>2.393722534179688E-004</wall>
    </partial>
    <partial label="sum_band:sym" calls="8">
      <cpu>7.429999999999382E-004</cpu>
      <wall>7.448196411132812E-004</wall>
    </partial>
    <partial label="mix_rho" calls="8">
      <cpu>7.499999999998064E-004</cpu>
      <wall>7.491111755371094E-004</wall>
    </partial>
    <partial label="high_freq_mi" calls="6">
      <cpu>2.200000000018854E-005</cpu>
      <wall>1.811981201171875E-005</wall>
    </partial>
    <partial label="ions" calls="1">
      <cpu>2.671099999999993E-002</cpu>
      <wall>3.157091140747070E-002</wall>
    </partial>
    <partial label="forces" calls="1">
      <cpu>4.027999999999921E-003</cpu>
      <wall>6.094932556152344E-003</wall>
    </partial>
    <partial label="frc_us" calls="1">
      <cpu>3.692999999999946E-003</cpu>
      <wall>4.930019378662109E-003</wall>
    </partial>
    <partial label="frc_lc" calls="1">
      <cpu>8.099999999977570E-005</cpu>
      <wall>7.987022399902344E-005</wall>
    </partial>
    <partial label="frc_cc" calls="1">
      <cpu>7.000000000090267E-006</cpu>
      <wall>7.867813110351562E-006</wall>
    </partial>
    <partial label="frc_scc" calls="1">
      <cpu>6.700000000003925E-005</cpu>
      <wall>6.699562072753906E-005</wall>
    </partial>
    <partial label="stress" calls="1">
      <cpu>2.264900000000014E-002</cpu>
      <wall>2.526712417602539E-002</wall>
    </partial>
  </timing_info>
  <closed DATE="22 Sep 2026" TIME="22: 7:34"></closed>
</qes:espresso>
