! Pwscf input file created with ciftopw.py
! Compound: SrSi2
&control
calculation = 'bands'
prefix = 'SrSi2'
restart_mode = 'from_scratch'
outdir = './'
wf_collect = .true.
verbosity = 'high'
/
&system
ibrav = 14
celldm(1) = 12.3493593381150006
celldm(2) = 1.0000000000000000
celldm(3) = 1.0000000000000000
celldm(4) = 0.0000000000000001
celldm(5) = 0.0000000000000001
celldm(6) = 0.0000000000000001
nat = 12
ntyp = 2
ecutwfc = 44.00000000
ecutrho = 263.00000000
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
Si 28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF
Sr 87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
ATOMIC_POSITIONS crystal
K_POINTS crystal
191
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0.00000000 0.02000000 0.00000000 1.0
0.00000000 0.04000000 0.00000000 1.0
0.00000000 0.06000000 0.00000000 1.0
0.00000000 0.08000000 0.00000000 1.0
0.00000000 0.10000000 0.00000000 1.0
0.00000000 0.12000000 0.00000000 1.0
0.00000000 0.14000000 0.00000000 1.0
0.00000000 0.16000000 0.00000000 1.0
0.00000000 0.18000000 0.00000000 1.0
0.00000000 0.20000000 0.00000000 1.0
0.00000000 0.22000000 0.00000000 1.0
0.00000000 0.24000000 0.00000000 1.0
0.00000000 0.26000000 0.00000000 1.0
0.00000000 0.28000000 0.00000000 1.0
0.00000000 0.30000000 0.00000000 1.0
0.00000000 0.32000000 0.00000000 1.0
0.00000000 0.34000000 0.00000000 1.0
0.00000000 0.36000000 0.00000000 1.0
0.00000000 0.38000000 0.00000000 1.0
0.00000000 0.40000000 0.00000000 1.0
0.00000000 0.42000000 0.00000000 1.0
0.00000000 0.44000000 0.00000000 1.0
0.00000000 0.46000000 0.00000000 1.0
0.00000000 0.48000000 0.00000000 1.0
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0.39705882 0.39705882 0.00000000 1.0
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0.36764706 0.36764706 0.00000000 1.0
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0.19117647 0.19117647 0.00000000 1.0
0.17647059 0.17647059 0.00000000 1.0
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0.00000000 0.00000000 0.00000000 1.0
0.00000000 0.00000000 0.00000000 1.0
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0.05952381 0.05952381 0.05952381 1.0
0.07142857 0.07142857 0.07142857 1.0
0.08333333 0.08333333 0.08333333 1.0
0.09523810 0.09523810 0.09523810 1.0
0.10714286 0.10714286 0.10714286 1.0
0.11904762 0.11904762 0.11904762 1.0
0.13095238 0.13095238 0.13095238 1.0
0.14285714 0.14285714 0.14285714 1.0
0.15476190 0.15476190 0.15476190 1.0
0.16666667 0.16666667 0.16666667 1.0
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0.19047619 0.19047619 0.19047619 1.0
0.20238095 0.20238095 0.20238095 1.0
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0.30952381 0.30952381 0.30952381 1.0
0.32142857 0.32142857 0.32142857 1.0
0.33333333 0.33333333 0.33333333 1.0
0.34523810 0.34523810 0.34523810 1.0
0.35714286 0.35714286 0.35714286 1.0
0.36904762 0.36904762 0.36904762 1.0
0.38095238 0.38095238 0.38095238 1.0
0.39285714 0.39285714 0.39285714 1.0
0.40476190 0.40476190 0.40476190 1.0
0.41666667 0.41666667 0.41666667 1.0
0.42857143 0.42857143 0.42857143 1.0
0.44047619 0.44047619 0.44047619 1.0
0.45238095 0.45238095 0.45238095 1.0
0.46428571 0.46428571 0.46428571 1.0
0.47619048 0.47619048 0.47619048 1.0
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0.42647059 0.50000000 0.42647059 1.0
0.41176471 0.50000000 0.41176471 1.0
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0.32352941 0.50000000 0.32352941 1.0
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0.14705882 0.50000000 0.14705882 1.0
0.13235294 0.50000000 0.13235294 1.0
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0.08823529 0.50000000 0.08823529 1.0
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