! Pwscf input file created with ciftopw.py
! Compound: AgSbO3
&control
calculation = 'bands'
prefix = 'AgSbO3'
restart_mode = 'from_scratch'
outdir = './'
wf_collect = .true.
verbosity = 'high'
/
&system
ibrav = 14
celldm(1) = 13.6697153681870134
celldm(2) = 1.0000000000000000
celldm(3) = 1.0000000000000000
celldm(4) = 0.5000000000000003
celldm(5) = 0.5000000000000001
celldm(6) = 0.5000000000000001
nat = 20
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
Sb 121.7600 Sb.rel-pbe-n-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
210
0.00000000 0.00000000 0.00000000 1.0
0.01612903 0.00000000 0.01612903 1.0
0.03225806 0.00000000 0.03225806 1.0
0.04838710 0.00000000 0.04838710 1.0
0.06451613 0.00000000 0.06451613 1.0
0.08064516 0.00000000 0.08064516 1.0
0.09677419 0.00000000 0.09677419 1.0
0.11290323 0.00000000 0.11290323 1.0
0.12903226 0.00000000 0.12903226 1.0
0.14516129 0.00000000 0.14516129 1.0
0.16129032 0.00000000 0.16129032 1.0
0.17741935 0.00000000 0.17741935 1.0
0.19354839 0.00000000 0.19354839 1.0
0.20967742 0.00000000 0.20967742 1.0
0.22580645 0.00000000 0.22580645 1.0
0.24193548 0.00000000 0.24193548 1.0
0.25806452 0.00000000 0.25806452 1.0
0.27419355 0.00000000 0.27419355 1.0
0.29032258 0.00000000 0.29032258 1.0
0.30645161 0.00000000 0.30645161 1.0
0.32258065 0.00000000 0.32258065 1.0
0.33870968 0.00000000 0.33870968 1.0
0.35483871 0.00000000 0.35483871 1.0
0.37096774 0.00000000 0.37096774 1.0
0.38709677 0.00000000 0.38709677 1.0
0.40322581 0.00000000 0.40322581 1.0
0.41935484 0.00000000 0.41935484 1.0
0.43548387 0.00000000 0.43548387 1.0
0.45161290 0.00000000 0.45161290 1.0
0.46774194 0.00000000 0.46774194 1.0
0.48387097 0.00000000 0.48387097 1.0
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0.50000000 0.12500000 0.62500000 1.0
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0.50000000 0.15625000 0.65625000 1.0
0.50000000 0.17187500 0.67187500 1.0
0.50000000 0.18750000 0.68750000 1.0
0.50000000 0.20312500 0.70312500 1.0
0.50000000 0.21875000 0.71875000 1.0
0.50000000 0.23437500 0.73437500 1.0
0.50000000 0.25000000 0.75000000 1.0
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0.48863636 0.26136364 0.75000000 1.0
0.47727273 0.27272727 0.75000000 1.0
0.46590909 0.28409091 0.75000000 1.0
0.45454545 0.29545455 0.75000000 1.0
0.44318182 0.30681818 0.75000000 1.0
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0.36363636 0.36363636 0.72727273 1.0
0.35227273 0.35227273 0.70454545 1.0
0.34090909 0.34090909 0.68181818 1.0
0.32954545 0.32954545 0.65909091 1.0
0.31818182 0.31818182 0.63636364 1.0
0.30681818 0.30681818 0.61363636 1.0
0.29545455 0.29545455 0.59090909 1.0
0.28409091 0.28409091 0.56818182 1.0
0.27272727 0.27272727 0.54545455 1.0
0.26136364 0.26136364 0.52272727 1.0
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0.18181818 0.18181818 0.36363636 1.0
0.17045455 0.17045455 0.34090909 1.0
0.15909091 0.15909091 0.31818182 1.0
0.14772727 0.14772727 0.29545455 1.0
0.13636364 0.13636364 0.27272727 1.0
0.12500000 0.12500000 0.25000000 1.0
0.11363636 0.11363636 0.22727273 1.0
0.10227273 0.10227273 0.20454545 1.0
0.09090909 0.09090909 0.18181818 1.0
0.07954545 0.07954545 0.15909091 1.0
0.06818182 0.06818182 0.13636364 1.0
0.05681818 0.05681818 0.11363636 1.0
0.04545455 0.04545455 0.09090909 1.0
0.03409091 0.03409091 0.06818182 1.0
0.02272727 0.02272727 0.04545455 1.0
0.01136364 0.01136364 0.02272727 1.0
0.00000000 0.00000000 0.00000000 1.0
0.00000000 0.00000000 0.00000000 1.0
0.01851852 0.01851852 0.01851852 1.0
0.03703704 0.03703704 0.03703704 1.0
0.05555556 0.05555556 0.05555556 1.0
0.07407407 0.07407407 0.07407407 1.0
0.09259259 0.09259259 0.09259259 1.0
0.11111111 0.11111111 0.11111111 1.0
0.12962963 0.12962963 0.12962963 1.0
0.14814815 0.14814815 0.14814815 1.0
0.16666667 0.16666667 0.16666667 1.0
0.18518519 0.18518519 0.18518519 1.0
0.20370370 0.20370370 0.20370370 1.0
0.22222222 0.22222222 0.22222222 1.0
0.24074074 0.24074074 0.24074074 1.0
0.25925926 0.25925926 0.25925926 1.0
0.27777778 0.27777778 0.27777778 1.0
0.29629630 0.29629630 0.29629630 1.0
0.31481481 0.31481481 0.31481481 1.0
0.33333333 0.33333333 0.33333333 1.0
0.35185185 0.35185185 0.35185185 1.0
0.37037037 0.37037037 0.37037037 1.0
0.38888889 0.38888889 0.38888889 1.0
0.40740741 0.40740741 0.40740741 1.0
0.42592593 0.42592593 0.42592593 1.0
0.44444444 0.44444444 0.44444444 1.0
0.46296296 0.46296296 0.46296296 1.0
0.48148148 0.48148148 0.48148148 1.0
0.50000000 0.50000000 0.50000000 1.0
0.50000000 0.50000000 0.50000000 1.0
0.50657895 0.48684211 0.50657895 1.0
0.51315789 0.47368421 0.51315789 1.0
0.51973684 0.46052632 0.51973684 1.0
0.52631579 0.44736842 0.52631579 1.0
0.53289474 0.43421053 0.53289474 1.0
0.53947368 0.42105263 0.53947368 1.0
0.54605263 0.40789474 0.54605263 1.0
0.55263158 0.39473684 0.55263158 1.0
0.55921053 0.38157895 0.55921053 1.0
0.56578947 0.36842105 0.56578947 1.0
0.57236842 0.35526316 0.57236842 1.0
0.57894737 0.34210526 0.57894737 1.0
0.58552632 0.32894737 0.58552632 1.0
0.59210526 0.31578947 0.59210526 1.0
0.59868421 0.30263158 0.59868421 1.0
0.60526316 0.28947368 0.60526316 1.0
0.61184211 0.27631579 0.61184211 1.0
0.61842105 0.26315789 0.61842105 1.0
0.62500000 0.25000000 0.62500000 1.0
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0.61363636 0.25000000 0.63636364 1.0
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0.50000000 0.28409091 0.71590909 1.0
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0.50000000 0.30681818 0.69318182 1.0
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0.50000000 0.32954545 0.67045455 1.0
0.50000000 0.34090909 0.65909091 1.0
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