! Pwscf input file created with ciftopw.py ! Compound: RbAgO &control calculation = 'bands' prefix = 'RbAgO' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 14.4273540570737087 celldm(2) = 1.0000000000000000 celldm(3) = 1.0000000000000002 celldm(4) = -0.1378892529127689 celldm(5) = -0.1378892529127689 celldm(6) = -0.7242214941744617 nat = 12 ntyp = 3 ecutwfc = 47.00000000 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 Rb 85.4678 Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF Ag 107.8682 Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 230 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.02173913 1.0 0.00000000 0.00000000 0.04347826 1.0 0.00000000 0.00000000 0.06521739 1.0 0.00000000 0.00000000 0.08695652 1.0 0.00000000 0.00000000 0.10869565 1.0 0.00000000 0.00000000 0.13043478 1.0 0.00000000 0.00000000 0.15217391 1.0 0.00000000 0.00000000 0.17391304 1.0 0.00000000 0.00000000 0.19565217 1.0 0.00000000 0.00000000 0.21739130 1.0 0.00000000 0.00000000 0.23913043 1.0 0.00000000 0.00000000 0.26086957 1.0 0.00000000 0.00000000 0.28260870 1.0 0.00000000 0.00000000 0.30434783 1.0 0.00000000 0.00000000 0.32608696 1.0 0.00000000 0.00000000 0.34782609 1.0 0.00000000 0.00000000 0.36956522 1.0 0.00000000 0.00000000 0.39130435 1.0 0.00000000 0.00000000 0.41304348 1.0 0.00000000 0.00000000 0.43478261 1.0 0.00000000 0.00000000 0.45652174 1.0 0.00000000 0.00000000 0.47826087 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 -0.02173913 0.02173913 0.50000000 1.0 -0.04347826 0.04347826 0.50000000 1.0 -0.06521739 0.06521739 0.50000000 1.0 -0.08695652 0.08695652 0.50000000 1.0 -0.10869565 0.10869565 0.50000000 1.0 -0.13043478 0.13043478 0.50000000 1.0 -0.15217391 0.15217391 0.50000000 1.0 -0.17391304 0.17391304 0.50000000 1.0 -0.19565217 0.19565217 0.50000000 1.0 -0.21739130 0.21739130 0.50000000 1.0 -0.23913043 0.23913043 0.50000000 1.0 -0.26086957 0.26086957 0.50000000 1.0 -0.28260870 0.28260870 0.50000000 1.0 -0.30434783 0.30434783 0.50000000 1.0 -0.32608696 0.32608696 0.50000000 1.0 -0.34782609 0.34782609 0.50000000 1.0 -0.36956522 0.36956522 0.50000000 1.0 -0.39130435 0.39130435 0.50000000 1.0 -0.41304348 0.41304348 0.50000000 1.0 -0.43478261 0.43478261 0.50000000 1.0 -0.45652174 0.45652174 0.50000000 1.0 -0.47826087 0.47826087 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.48437500 0.48437500 0.48437500 1.0 -0.46875000 0.46875000 0.46875000 1.0 -0.45312500 0.45312500 0.45312500 1.0 -0.43750000 0.43750000 0.43750000 1.0 -0.42187500 0.42187500 0.42187500 1.0 -0.40625000 0.40625000 0.40625000 1.0 -0.39062500 0.39062500 0.39062500 1.0 -0.37500000 0.37500000 0.37500000 1.0 -0.35937500 0.35937500 0.35937500 1.0 -0.34375000 0.34375000 0.34375000 1.0 -0.32812500 0.32812500 0.32812500 1.0 -0.31250000 0.31250000 0.31250000 1.0 -0.29687500 0.29687500 0.29687500 1.0 -0.28125000 0.28125000 0.28125000 1.0 -0.26562500 0.26562500 0.26562500 1.0 -0.25000000 0.25000000 0.25000000 1.0 -0.23437500 0.23437500 0.23437500 1.0 -0.21875000 0.21875000 0.21875000 1.0 -0.20312500 0.20312500 0.20312500 1.0 -0.18750000 0.18750000 0.18750000 1.0 -0.17187500 0.17187500 0.17187500 1.0 -0.15625000 0.15625000 0.15625000 1.0 -0.14062500 0.14062500 0.14062500 1.0 -0.12500000 0.12500000 0.12500000 1.0 -0.10937500 0.10937500 0.10937500 1.0 -0.09375000 0.09375000 0.09375000 1.0 -0.07812500 0.07812500 0.07812500 1.0 -0.06250000 0.06250000 0.06250000 1.0 -0.04687500 0.04687500 0.04687500 1.0 -0.03125000 0.03125000 0.03125000 1.0 -0.01562500 0.01562500 0.01562500 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00891816 0.00891816 -0.00891816 1.0 0.01783632 0.01783632 -0.01783632 1.0 0.02675448 0.02675448 -0.02675448 1.0 0.03567264 0.03567264 -0.03567264 1.0 0.04459080 0.04459080 -0.04459080 1.0 0.05350896 0.05350896 -0.05350896 1.0 0.06242711 0.06242711 -0.06242711 1.0 0.07134527 0.07134527 -0.07134527 1.0 0.08026343 0.08026343 -0.08026343 1.0 0.08918159 0.08918159 -0.08918159 1.0 0.09809975 0.09809975 -0.09809975 1.0 0.10701791 0.10701791 -0.10701791 1.0 0.11593607 0.11593607 -0.11593607 1.0 0.12485423 0.12485423 -0.12485423 1.0 0.13377239 0.13377239 -0.13377239 1.0 0.14269055 0.14269055 -0.14269055 1.0 0.15160871 0.15160871 -0.15160871 1.0 0.16052687 0.16052687 -0.16052687 1.0 0.16944502 0.16944502 -0.16944502 1.0 0.17836318 0.17836318 -0.17836318 1.0 0.18728134 0.18728134 -0.18728134 1.0 0.19619950 0.19619950 -0.19619950 1.0 0.20511766 0.20511766 -0.20511766 1.0 0.21403582 0.21403582 -0.21403582 1.0 0.22295398 0.22295398 -0.22295398 1.0 0.23187214 0.23187214 -0.23187214 1.0 0.24079030 0.24079030 -0.24079030 1.0 0.24970846 0.24970846 -0.24970846 1.0 0.25862662 0.25862662 -0.25862662 1.0 0.26754478 0.26754478 -0.26754478 1.0 0.27646294 0.27646294 -0.27646294 1.0 0.28538109 0.28538109 -0.28538109 1.0 0.29429925 0.29429925 -0.29429925 1.0 0.30321741 0.30321741 -0.30321741 1.0 0.31213557 0.31213557 -0.31213557 1.0 0.32105373 0.32105373 -0.32105373 1.0 0.32997189 0.32997189 -0.32997189 1.0 0.32997189 0.32997189 -0.32997189 1.0 0.32663973 0.32663973 -0.30580640 1.0 0.32330757 0.32330757 -0.28164090 1.0 0.31997540 0.31997540 -0.25747540 1.0 0.31664324 0.31664324 -0.23330991 1.0 0.31331108 0.31331108 -0.20914441 1.0 0.30997892 0.30997892 -0.18497892 1.0 0.30664676 0.30664676 -0.16081342 1.0 0.30331459 0.30331459 -0.13664793 1.0 0.29998243 0.29998243 -0.11248243 1.0 0.29665027 0.29665027 -0.08831694 1.0 0.29331811 0.29331811 -0.06415144 1.0 0.28998595 0.28998595 -0.03998595 1.0 0.28665378 0.28665378 -0.01582045 1.0 0.28332162 0.28332162 0.00834505 1.0 0.27998946 0.27998946 0.03251054 1.0 0.27665730 0.27665730 0.05667604 1.0 0.27332513 0.27332513 0.08084153 1.0 0.26999297 0.26999297 0.10500703 1.0 0.26666081 0.26666081 0.12917252 1.0 0.26332865 0.26332865 0.15333802 1.0 0.25999649 0.25999649 0.17750351 1.0 0.25666432 0.25666432 0.20166901 1.0 0.25333216 0.25333216 0.22583450 1.0 0.25000000 0.25000000 0.25000000 1.0 0.25000000 0.25000000 0.25000000 1.0 0.23437500 0.26562500 0.23437500 1.0 0.21875000 0.28125000 0.21875000 1.0 0.20312500 0.29687500 0.20312500 1.0 0.18750000 0.31250000 0.18750000 1.0 0.17187500 0.32812500 0.17187500 1.0 0.15625000 0.34375000 0.15625000 1.0 0.14062500 0.35937500 0.14062500 1.0 0.12500000 0.37500000 0.12500000 1.0 0.10937500 0.39062500 0.10937500 1.0 0.09375000 0.40625000 0.09375000 1.0 0.07812500 0.42187500 0.07812500 1.0 0.06250000 0.43750000 0.06250000 1.0 0.04687500 0.45312500 0.04687500 1.0 0.03125000 0.46875000 0.03125000 1.0 0.01562500 0.48437500 0.01562500 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 -0.01736694 0.50894885 0.01736694 1.0 -0.03473388 0.51789770 0.03473388 1.0 -0.05210082 0.52684654 0.05210082 1.0 -0.06946777 0.53579539 0.06946777 1.0 -0.08683471 0.54474424 0.08683471 1.0 -0.10420165 0.55369309 0.10420165 1.0 -0.12156859 0.56264193 0.12156859 1.0 -0.13893553 0.57159078 0.13893553 1.0 -0.15630247 0.58053963 0.15630247 1.0 -0.17366942 0.58948848 0.17366942 1.0 -0.19103636 0.59843733 0.19103636 1.0 -0.20840330 0.60738617 0.20840330 1.0 -0.22577024 0.61633502 0.22577024 1.0 -0.24313718 0.62528387 0.24313718 1.0 -0.26050412 0.63423272 0.26050412 1.0 -0.27787107 0.64318157 0.27787107 1.0 -0.29523801 0.65213041 0.29523801 1.0 -0.31260495 0.66107926 0.31260495 1.0 -0.32997189 0.67002811 0.32997189 1.0 -0.32997189 0.67002811 0.32997189 1.0 -0.33892074 0.66107926 0.33892074 1.0 -0.34786959 0.65213041 0.34786959 1.0 -0.35681843 0.64318157 0.35681843 1.0 -0.36576728 0.63423272 0.36576728 1.0 -0.37471613 0.62528387 0.37471613 1.0 -0.38366498 0.61633502 0.38366498 1.0 -0.39261383 0.60738617 0.39261383 1.0 -0.40156267 0.59843733 0.40156267 1.0 -0.41051152 0.58948848 0.41051152 1.0 -0.41946037 0.58053963 0.41946037 1.0 -0.42840922 0.57159078 0.42840922 1.0 -0.43735807 0.56264193 0.43735807 1.0 -0.44630691 0.55369309 0.44630691 1.0 -0.45525576 0.54474424 0.45525576 1.0 -0.46420461 0.53579539 0.46420461 1.0 -0.47315346 0.52684654 0.47315346 1.0 -0.48210230 0.51789770 0.48210230 1.0 -0.49105115 0.50894885 0.49105115 1.0 -0.50000000 0.50000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00892857 0.00892857 0.49107143 1.0 0.01785714 0.01785714 0.48214286 1.0 0.02678571 0.02678571 0.47321429 1.0 0.03571429 0.03571429 0.46428571 1.0 0.04464286 0.04464286 0.45535714 1.0 0.05357143 0.05357143 0.44642857 1.0 0.06250000 0.06250000 0.43750000 1.0 0.07142857 0.07142857 0.42857143 1.0 0.08035714 0.08035714 0.41964286 1.0 0.08928571 0.08928571 0.41071429 1.0 0.09821429 0.09821429 0.40178571 1.0 0.10714286 0.10714286 0.39285714 1.0 0.11607143 0.11607143 0.38392857 1.0 0.12500000 0.12500000 0.37500000 1.0 0.13392857 0.13392857 0.36607143 1.0 0.14285714 0.14285714 0.35714286 1.0 0.15178571 0.15178571 0.34821429 1.0 0.16071429 0.16071429 0.33928571 1.0 0.16964286 0.16964286 0.33035714 1.0 0.17857143 0.17857143 0.32142857 1.0 0.18750000 0.18750000 0.31250000 1.0 0.19642857 0.19642857 0.30357143 1.0 0.20535714 0.20535714 0.29464286 1.0 0.21428571 0.21428571 0.28571429 1.0 0.22321429 0.22321429 0.27678571 1.0 0.23214286 0.23214286 0.26785714 1.0 0.24107143 0.24107143 0.25892857 1.0 0.25000000 0.25000000 0.25000000 1.0