! Pwscf input file created with ciftopw.py ! Compound: Na2W4O13 &control calculation = 'bands' prefix = 'Na2W4O13' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 7.3585930011660015 celldm(2) = 2.1199280945043664 celldm(3) = 2.1634781440509889 celldm(4) = -0.1042927764517931 celldm(5) = -0.2266609928432980 celldm(6) = -0.0104717841162457 nat = 19 ntyp = 3 ecutwfc = 80.00000000 ecutrho = 324.00000000 occupations = 'smearing' smearing = 'f-d' degauss = 1.00000000e-03 noncolin = .true. lspinorb = .true. / &electrons conv_thr = 1.00000000e-05 mixing_beta = 3.00000000e-01 / ATOMIC_SPECIES O 15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF W 183.8400 W.rel-pbe-oncvpsp.UPF Na 22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 249 0.00000000 -0.50000000 0.00000000 1.0 0.00000000 -0.47500000 0.00000000 1.0 0.00000000 -0.45000000 0.00000000 1.0 0.00000000 -0.42500000 0.00000000 1.0 0.00000000 -0.40000000 0.00000000 1.0 0.00000000 -0.37500000 0.00000000 1.0 0.00000000 -0.35000000 0.00000000 1.0 0.00000000 -0.32500000 0.00000000 1.0 0.00000000 -0.30000000 0.00000000 1.0 0.00000000 -0.27500000 0.00000000 1.0 0.00000000 -0.25000000 0.00000000 1.0 0.00000000 -0.22500000 0.00000000 1.0 0.00000000 -0.20000000 0.00000000 1.0 0.00000000 -0.17500000 0.00000000 1.0 0.00000000 -0.15000000 0.00000000 1.0 0.00000000 -0.12500000 0.00000000 1.0 0.00000000 -0.10000000 0.00000000 1.0 0.00000000 -0.07500000 0.00000000 1.0 0.00000000 -0.05000000 0.00000000 1.0 0.00000000 -0.02500000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.01190476 0.00000000 0.00000000 1.0 0.02380952 0.00000000 0.00000000 1.0 0.03571429 -0.00000000 -0.00000000 1.0 0.04761905 0.00000000 0.00000000 1.0 0.05952381 0.00000000 -0.00000000 1.0 0.07142857 -0.00000000 -0.00000000 1.0 0.08333333 0.00000000 0.00000000 1.0 0.09523810 0.00000000 0.00000000 1.0 0.10714286 -0.00000000 -0.00000000 1.0 0.11904762 0.00000000 -0.00000000 1.0 0.13095238 0.00000000 0.00000000 1.0 0.14285714 -0.00000000 -0.00000000 1.0 0.15476190 -0.00000000 -0.00000000 1.0 0.16666667 0.00000000 0.00000000 1.0 0.17857143 -0.00000000 -0.00000000 1.0 0.19047619 0.00000000 0.00000000 1.0 0.20238095 -0.00000000 -0.00000000 1.0 0.21428571 -0.00000000 -0.00000000 1.0 0.22619048 -0.00000000 -0.00000000 1.0 0.23809524 0.00000000 -0.00000000 1.0 0.25000000 0.00000000 0.00000000 1.0 0.26190476 0.00000000 0.00000000 1.0 0.27380952 0.00000000 -0.00000000 1.0 0.28571429 -0.00000000 -0.00000000 1.0 0.29761905 0.00000000 -0.00000000 1.0 0.30952381 -0.00000000 -0.00000000 1.0 0.32142857 0.00000000 0.00000000 1.0 0.33333333 0.00000000 0.00000000 1.0 0.34523810 -0.00000000 -0.00000000 1.0 0.35714286 -0.00000000 -0.00000000 1.0 0.36904762 -0.00000000 -0.00000000 1.0 0.38095238 0.00000000 0.00000000 1.0 0.39285714 0.00000000 -0.00000000 1.0 0.40476190 -0.00000000 -0.00000000 1.0 0.41666667 -0.00000000 -0.00000000 1.0 0.42857143 -0.00000000 -0.00000000 1.0 0.44047619 0.00000000 -0.00000000 1.0 0.45238095 -0.00000000 -0.00000000 1.0 0.46428571 -0.00000000 -0.00000000 1.0 0.47619048 0.00000000 -0.00000000 1.0 0.48809524 0.00000000 -0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 -0.50000000 0.00000000 1.0 0.48913043 -0.48913043 0.00000000 1.0 0.47826087 -0.47826087 -0.00000000 1.0 0.46739130 -0.46739130 -0.00000000 1.0 0.45652174 -0.45652174 -0.00000000 1.0 0.44565217 -0.44565217 0.00000000 1.0 0.43478261 -0.43478261 0.00000000 1.0 0.42391304 -0.42391304 0.00000000 1.0 0.41304348 -0.41304348 -0.00000000 1.0 0.40217391 -0.40217391 0.00000000 1.0 0.39130435 -0.39130435 -0.00000000 1.0 0.38043478 -0.38043478 0.00000000 1.0 0.36956522 -0.36956522 0.00000000 1.0 0.35869565 -0.35869565 -0.00000000 1.0 0.34782609 -0.34782609 0.00000000 1.0 0.33695652 -0.33695652 -0.00000000 1.0 0.32608696 -0.32608696 0.00000000 1.0 0.31521739 -0.31521739 -0.00000000 1.0 0.30434783 -0.30434783 -0.00000000 1.0 0.29347826 -0.29347826 0.00000000 1.0 0.28260870 -0.28260870 -0.00000000 1.0 0.27173913 -0.27173913 0.00000000 1.0 0.26086957 -0.26086957 -0.00000000 1.0 0.25000000 -0.25000000 0.00000000 1.0 0.23913043 -0.23913043 0.00000000 1.0 0.22826087 -0.22826087 -0.00000000 1.0 0.21739130 -0.21739130 0.00000000 1.0 0.20652174 -0.20652174 -0.00000000 1.0 0.19565217 -0.19565217 0.00000000 1.0 0.18478261 -0.18478261 0.00000000 1.0 0.17391304 -0.17391304 0.00000000 1.0 0.16304348 -0.16304348 -0.00000000 1.0 0.15217391 -0.15217391 0.00000000 1.0 0.14130435 -0.14130435 -0.00000000 1.0 0.13043478 -0.13043478 0.00000000 1.0 0.11956522 -0.11956522 -0.00000000 1.0 0.10869565 -0.10869565 0.00000000 1.0 0.09782609 -0.09782609 -0.00000000 1.0 0.08695652 -0.08695652 0.00000000 1.0 0.07608696 -0.07608696 -0.00000000 1.0 0.06521739 -0.06521739 0.00000000 1.0 0.05434783 -0.05434783 0.00000000 1.0 0.04347826 -0.04347826 0.00000000 1.0 0.03260870 -0.03260870 -0.00000000 1.0 0.02173913 -0.02173913 -0.00000000 1.0 0.01086957 -0.01086957 -0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 -0.01190476 0.00000000 0.01190476 1.0 -0.02380952 0.00000000 0.02380952 1.0 -0.03571429 0.00000000 0.03571429 1.0 -0.04761905 0.00000000 0.04761905 1.0 -0.05952381 0.00000000 0.05952381 1.0 -0.07142857 0.00000000 0.07142857 1.0 -0.08333333 -0.00000000 0.08333333 1.0 -0.09523810 0.00000000 0.09523810 1.0 -0.10714286 0.00000000 0.10714286 1.0 -0.11904762 0.00000000 0.11904762 1.0 -0.13095238 0.00000000 0.13095238 1.0 -0.14285714 0.00000000 0.14285714 1.0 -0.15476190 0.00000000 0.15476190 1.0 -0.16666667 -0.00000000 0.16666667 1.0 -0.17857143 0.00000000 0.17857143 1.0 -0.19047619 0.00000000 0.19047619 1.0 -0.20238095 0.00000000 0.20238095 1.0 -0.21428571 0.00000000 0.21428571 1.0 -0.22619048 0.00000000 0.22619048 1.0 -0.23809524 0.00000000 0.23809524 1.0 -0.25000000 0.00000000 0.25000000 1.0 -0.26190476 0.00000000 0.26190476 1.0 -0.27380952 0.00000000 0.27380952 1.0 -0.28571429 0.00000000 0.28571429 1.0 -0.29761905 0.00000000 0.29761905 1.0 -0.30952381 0.00000000 0.30952381 1.0 -0.32142857 0.00000000 0.32142857 1.0 -0.33333333 -0.00000000 0.33333333 1.0 -0.34523810 0.00000000 0.34523810 1.0 -0.35714286 0.00000000 0.35714286 1.0 -0.36904762 0.00000000 0.36904762 1.0 -0.38095238 0.00000000 0.38095238 1.0 -0.39285714 0.00000000 0.39285714 1.0 -0.40476190 0.00000000 0.40476190 1.0 -0.41666667 0.00000000 0.41666667 1.0 -0.42857143 0.00000000 0.42857143 1.0 -0.44047619 0.00000000 0.44047619 1.0 -0.45238095 0.00000000 0.45238095 1.0 -0.46428571 0.00000000 0.46428571 1.0 -0.47619048 0.00000000 0.47619048 1.0 -0.48809524 0.00000000 0.48809524 1.0 -0.50000000 0.00000000 0.50000000 1.0 -0.50000000 -0.50000000 0.50000000 1.0 -0.48913043 -0.48913043 0.48913043 1.0 -0.47826087 -0.47826087 0.47826087 1.0 -0.46739130 -0.46739130 0.46739130 1.0 -0.45652174 -0.45652174 0.45652174 1.0 -0.44565217 -0.44565217 0.44565217 1.0 -0.43478261 -0.43478261 0.43478261 1.0 -0.42391304 -0.42391304 0.42391304 1.0 -0.41304348 -0.41304348 0.41304348 1.0 -0.40217391 -0.40217391 0.40217391 1.0 -0.39130435 -0.39130435 0.39130435 1.0 -0.38043478 -0.38043478 0.38043478 1.0 -0.36956522 -0.36956522 0.36956522 1.0 -0.35869565 -0.35869565 0.35869565 1.0 -0.34782609 -0.34782609 0.34782609 1.0 -0.33695652 -0.33695652 0.33695652 1.0 -0.32608696 -0.32608696 0.32608696 1.0 -0.31521739 -0.31521739 0.31521739 1.0 -0.30434783 -0.30434783 0.30434783 1.0 -0.29347826 -0.29347826 0.29347826 1.0 -0.28260870 -0.28260870 0.28260870 1.0 -0.27173913 -0.27173913 0.27173913 1.0 -0.26086957 -0.26086957 0.26086957 1.0 -0.25000000 -0.25000000 0.25000000 1.0 -0.23913043 -0.23913043 0.23913043 1.0 -0.22826087 -0.22826087 0.22826087 1.0 -0.21739130 -0.21739130 0.21739130 1.0 -0.20652174 -0.20652174 0.20652174 1.0 -0.19565217 -0.19565217 0.19565217 1.0 -0.18478261 -0.18478261 0.18478261 1.0 -0.17391304 -0.17391304 0.17391304 1.0 -0.16304348 -0.16304348 0.16304348 1.0 -0.15217391 -0.15217391 0.15217391 1.0 -0.14130435 -0.14130435 0.14130435 1.0 -0.13043478 -0.13043478 0.13043478 1.0 -0.11956522 -0.11956522 0.11956522 1.0 -0.10869565 -0.10869565 0.10869565 1.0 -0.09782609 -0.09782609 0.09782609 1.0 -0.08695652 -0.08695652 0.08695652 1.0 -0.07608696 -0.07608696 0.07608696 1.0 -0.06521739 -0.06521739 0.06521739 1.0 -0.05434783 -0.05434783 0.05434783 1.0 -0.04347826 -0.04347826 0.04347826 1.0 -0.03260870 -0.03260870 0.03260870 1.0 -0.02173913 -0.02173913 0.02173913 1.0 -0.01086957 -0.01086957 0.01086957 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.02500000 1.0 0.00000000 0.00000000 0.05000000 1.0 0.00000000 0.00000000 0.07500000 1.0 0.00000000 0.00000000 0.10000000 1.0 0.00000000 0.00000000 0.12500000 1.0 0.00000000 0.00000000 0.15000000 1.0 0.00000000 0.00000000 0.17500000 1.0 0.00000000 0.00000000 0.20000000 1.0 0.00000000 0.00000000 0.22500000 1.0 0.00000000 0.00000000 0.25000000 1.0 0.00000000 0.00000000 0.27500000 1.0 0.00000000 0.00000000 0.30000000 1.0 0.00000000 0.00000000 0.32500000 1.0 0.00000000 0.00000000 0.35000000 1.0 0.00000000 0.00000000 0.37500000 1.0 0.00000000 0.00000000 0.40000000 1.0 0.00000000 0.00000000 0.42500000 1.0 0.00000000 0.00000000 0.45000000 1.0 0.00000000 0.00000000 0.47500000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 -0.50000000 0.50000000 1.0 0.00000000 -0.48076923 0.48076923 1.0 0.00000000 -0.46153846 0.46153846 1.0 0.00000000 -0.44230769 0.44230769 1.0 0.00000000 -0.42307692 0.42307692 1.0 0.00000000 -0.40384615 0.40384615 1.0 0.00000000 -0.38461538 0.38461538 1.0 0.00000000 -0.36538462 0.36538462 1.0 0.00000000 -0.34615385 0.34615385 1.0 0.00000000 -0.32692308 0.32692308 1.0 0.00000000 -0.30769231 0.30769231 1.0 0.00000000 -0.28846154 0.28846154 1.0 0.00000000 -0.26923077 0.26923077 1.0 0.00000000 -0.25000000 0.25000000 1.0 0.00000000 -0.23076923 0.23076923 1.0 0.00000000 -0.21153846 0.21153846 1.0 0.00000000 -0.19230769 0.19230769 1.0 0.00000000 -0.17307692 0.17307692 1.0 0.00000000 -0.15384615 0.15384615 1.0 0.00000000 -0.13461538 0.13461538 1.0 0.00000000 -0.11538462 0.11538462 1.0 0.00000000 -0.09615385 0.09615385 1.0 0.00000000 -0.07692308 0.07692308 1.0 0.00000000 -0.05769231 0.05769231 1.0 0.00000000 -0.03846154 0.03846154 1.0 0.00000000 -0.01923077 0.01923077 1.0 0.00000000 0.00000000 0.00000000 1.0