! Pwscf input file created with ciftopw.py
! Compound: Cs
&control
calculation = 'bands'
prefix = 'Cs'
restart_mode = 'from_scratch'
outdir = './'
wf_collect = .true.
verbosity = 'high'
/
&system
ibrav = 14
celldm(1) = 12.2945572844340010
celldm(2) = 1.0000000000000000
celldm(3) = 0.8648939440516445
celldm(4) = 0.0000000000000001
celldm(5) = 0.0000000000000001
celldm(6) = 0.0000000000000001
nat = 8
ntyp = 1
ecutwfc = 80.00000000
ecutrho = 320.00000000
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
Cs 132.9055 Cs.rel-pbe-oncvpsp.UPF
ATOMIC_POSITIONS crystal
K_POINTS crystal
263
0.00000000 0.00000000 0.00000000 1.0
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
0.00000000 0.50000000 0.00000000 1.0
0.00000000 0.50000000 0.00000000 1.0
0.02000000 0.50000000 0.00000000 1.0
0.04000000 0.50000000 0.00000000 1.0
0.06000000 0.50000000 0.00000000 1.0
0.08000000 0.50000000 0.00000000 1.0
0.10000000 0.50000000 0.00000000 1.0
0.12000000 0.50000000 0.00000000 1.0
0.14000000 0.50000000 0.00000000 1.0
0.16000000 0.50000000 0.00000000 1.0
0.18000000 0.50000000 0.00000000 1.0
0.20000000 0.50000000 0.00000000 1.0
0.22000000 0.50000000 0.00000000 1.0
0.24000000 0.50000000 0.00000000 1.0
0.26000000 0.50000000 0.00000000 1.0
0.28000000 0.50000000 0.00000000 1.0
0.30000000 0.50000000 0.00000000 1.0
0.32000000 0.50000000 0.00000000 1.0
0.34000000 0.50000000 0.00000000 1.0
0.36000000 0.50000000 0.00000000 1.0
0.38000000 0.50000000 0.00000000 1.0
0.40000000 0.50000000 0.00000000 1.0
0.42000000 0.50000000 0.00000000 1.0
0.44000000 0.50000000 0.00000000 1.0
0.46000000 0.50000000 0.00000000 1.0
0.48000000 0.50000000 0.00000000 1.0
0.50000000 0.50000000 0.00000000 1.0
0.50000000 0.50000000 0.00000000 1.0
0.48571429 0.48571429 0.00000000 1.0
0.47142857 0.47142857 0.00000000 1.0
0.45714286 0.45714286 0.00000000 1.0
0.44285714 0.44285714 0.00000000 1.0
0.42857143 0.42857143 0.00000000 1.0
0.41428571 0.41428571 0.00000000 1.0
0.40000000 0.40000000 0.00000000 1.0
0.38571429 0.38571429 0.00000000 1.0
0.37142857 0.37142857 0.00000000 1.0
0.35714286 0.35714286 0.00000000 1.0
0.34285714 0.34285714 0.00000000 1.0
0.32857143 0.32857143 0.00000000 1.0
0.31428571 0.31428571 0.00000000 1.0
0.30000000 0.30000000 0.00000000 1.0
0.28571429 0.28571429 0.00000000 1.0
0.27142857 0.27142857 0.00000000 1.0
0.25714286 0.25714286 0.00000000 1.0
0.24285714 0.24285714 0.00000000 1.0
0.22857143 0.22857143 0.00000000 1.0
0.21428571 0.21428571 0.00000000 1.0
0.20000000 0.20000000 0.00000000 1.0
0.18571429 0.18571429 0.00000000 1.0
0.17142857 0.17142857 0.00000000 1.0
0.15714286 0.15714286 0.00000000 1.0
0.14285714 0.14285714 0.00000000 1.0
0.12857143 0.12857143 0.00000000 1.0
0.11428571 0.11428571 0.00000000 1.0
0.10000000 0.10000000 0.00000000 1.0
0.08571429 0.08571429 0.00000000 1.0
0.07142857 0.07142857 0.00000000 1.0
0.05714286 0.05714286 0.00000000 1.0
0.04285714 0.04285714 0.00000000 1.0
0.02857143 0.02857143 0.00000000 1.0
0.01428571 0.01428571 0.00000000 1.0
0.00000000 0.00000000 0.00000000 1.0
0.00000000 0.00000000 0.00000000 1.0
0.00000000 0.00000000 0.01785714 1.0
0.00000000 0.00000000 0.03571429 1.0
0.00000000 0.00000000 0.05357143 1.0
0.00000000 0.00000000 0.07142857 1.0
0.00000000 0.00000000 0.08928571 1.0
0.00000000 0.00000000 0.10714286 1.0
0.00000000 0.00000000 0.12500000 1.0
0.00000000 0.00000000 0.14285714 1.0
0.00000000 0.00000000 0.16071429 1.0
0.00000000 0.00000000 0.17857143 1.0
0.00000000 0.00000000 0.19642857 1.0
0.00000000 0.00000000 0.21428571 1.0
0.00000000 -0.00000000 0.23214286 1.0
0.00000000 0.00000000 0.25000000 1.0
-0.00000000 0.00000000 0.26785714 1.0
0.00000000 0.00000000 0.28571429 1.0
-0.00000000 0.00000000 0.30357143 1.0
0.00000000 0.00000000 0.32142857 1.0
0.00000000 0.00000000 0.33928571 1.0
0.00000000 0.00000000 0.35714286 1.0
0.00000000 0.00000000 0.37500000 1.0
0.00000000 0.00000000 0.39285714 1.0
0.00000000 0.00000000 0.41071429 1.0
0.00000000 0.00000000 0.42857143 1.0
0.00000000 0.00000000 0.44642857 1.0
0.00000000 -0.00000000 0.46428571 1.0
0.00000000 0.00000000 0.48214286 1.0
0.00000000 0.00000000 0.50000000 1.0
0.00000000 0.00000000 0.50000000 1.0
0.00000000 0.02000000 0.50000000 1.0
0.00000000 0.04000000 0.50000000 1.0
0.00000000 0.06000000 0.50000000 1.0
0.00000000 0.08000000 0.50000000 1.0
0.00000000 0.10000000 0.50000000 1.0
0.00000000 0.12000000 0.50000000 1.0
0.00000000 0.14000000 0.50000000 1.0
0.00000000 0.16000000 0.50000000 1.0
0.00000000 0.18000000 0.50000000 1.0
0.00000000 0.20000000 0.50000000 1.0
0.00000000 0.22000000 0.50000000 1.0
0.00000000 0.24000000 0.50000000 1.0
0.00000000 0.26000000 0.50000000 1.0
0.00000000 0.28000000 0.50000000 1.0
0.00000000 0.30000000 0.50000000 1.0
0.00000000 0.32000000 0.50000000 1.0
0.00000000 0.34000000 0.50000000 1.0
0.00000000 0.36000000 0.50000000 1.0
0.00000000 0.38000000 0.50000000 1.0
0.00000000 0.40000000 0.50000000 1.0
0.00000000 0.42000000 0.50000000 1.0
0.00000000 0.44000000 0.50000000 1.0
0.00000000 0.46000000 0.50000000 1.0
0.00000000 0.48000000 0.50000000 1.0
0.00000000 0.50000000 0.50000000 1.0
0.00000000 0.50000000 0.50000000 1.0
0.02000000 0.50000000 0.50000000 1.0
0.04000000 0.50000000 0.50000000 1.0
0.06000000 0.50000000 0.50000000 1.0
0.08000000 0.50000000 0.50000000 1.0
0.10000000 0.50000000 0.50000000 1.0
0.12000000 0.50000000 0.50000000 1.0
0.14000000 0.50000000 0.50000000 1.0
0.16000000 0.50000000 0.50000000 1.0
0.18000000 0.50000000 0.50000000 1.0
0.20000000 0.50000000 0.50000000 1.0
0.22000000 0.50000000 0.50000000 1.0
0.24000000 0.50000000 0.50000000 1.0
0.26000000 0.50000000 0.50000000 1.0
0.28000000 0.50000000 0.50000000 1.0
0.30000000 0.50000000 0.50000000 1.0
0.32000000 0.50000000 0.50000000 1.0
0.34000000 0.50000000 0.50000000 1.0
0.36000000 0.50000000 0.50000000 1.0
0.38000000 0.50000000 0.50000000 1.0
0.40000000 0.50000000 0.50000000 1.0
0.42000000 0.50000000 0.50000000 1.0
0.44000000 0.50000000 0.50000000 1.0
0.46000000 0.50000000 0.50000000 1.0
0.48000000 0.50000000 0.50000000 1.0
0.50000000 0.50000000 0.50000000 1.0
0.50000000 0.50000000 0.50000000 1.0
0.48571429 0.48571429 0.50000000 1.0
0.47142857 0.47142857 0.50000000 1.0
0.45714286 0.45714286 0.50000000 1.0
0.44285714 0.44285714 0.50000000 1.0
0.42857143 0.42857143 0.50000000 1.0
0.41428571 0.41428571 0.50000000 1.0
0.40000000 0.40000000 0.50000000 1.0
0.38571429 0.38571429 0.50000000 1.0
0.37142857 0.37142857 0.50000000 1.0
0.35714286 0.35714286 0.50000000 1.0
0.34285714 0.34285714 0.50000000 1.0
0.32857143 0.32857143 0.50000000 1.0
0.31428571 0.31428571 0.50000000 1.0
0.30000000 0.30000000 0.50000000 1.0
0.28571429 0.28571429 0.50000000 1.0
0.27142857 0.27142857 0.50000000 1.0
0.25714286 0.25714286 0.50000000 1.0
0.24285714 0.24285714 0.50000000 1.0
0.22857143 0.22857143 0.50000000 1.0
0.21428571 0.21428571 0.50000000 1.0
0.20000000 0.20000000 0.50000000 1.0
0.18571429 0.18571429 0.50000000 1.0
0.17142857 0.17142857 0.50000000 1.0
0.15714286 0.15714286 0.50000000 1.0
0.14285714 0.14285714 0.50000000 1.0
0.12857143 0.12857143 0.50000000 1.0
0.11428571 0.11428571 0.50000000 1.0
0.10000000 0.10000000 0.50000000 1.0
0.08571429 0.08571429 0.50000000 1.0
0.07142857 0.07142857 0.50000000 1.0
0.05714286 0.05714286 0.50000000 1.0
0.04285714 0.04285714 0.50000000 1.0
0.02857143 0.02857143 0.50000000 1.0
0.01428571 0.01428571 0.50000000 1.0
-0.00000000 -0.00000000 0.50000000 1.0
0.00000000 0.50000000 0.00000000 1.0
0.00000000 0.50000000 0.01785714 1.0
0.00000000 0.50000000 0.03571429 1.0
0.00000000 0.50000000 0.05357143 1.0
0.00000000 0.50000000 0.07142857 1.0
0.00000000 0.50000000 0.08928571 1.0
0.00000000 0.50000000 0.10714286 1.0
0.00000000 0.50000000 0.12500000 1.0
0.00000000 0.50000000 0.14285714 1.0
0.00000000 0.50000000 0.16071429 1.0
0.00000000 0.50000000 0.17857143 1.0
0.00000000 0.50000000 0.19642857 1.0
0.00000000 0.50000000 0.21428571 1.0
0.00000000 0.50000000 0.23214286 1.0
0.00000000 0.50000000 0.25000000 1.0
-0.00000000 0.50000000 0.26785714 1.0
0.00000000 0.50000000 0.28571429 1.0
-0.00000000 0.50000000 0.30357143 1.0
0.00000000 0.50000000 0.32142857 1.0
0.00000000 0.50000000 0.33928571 1.0
0.00000000 0.50000000 0.35714286 1.0
0.00000000 0.50000000 0.37500000 1.0
0.00000000 0.50000000 0.39285714 1.0
0.00000000 0.50000000 0.41071429 1.0
0.00000000 0.50000000 0.42857143 1.0
0.00000000 0.50000000 0.44642857 1.0
0.00000000 0.50000000 0.46428571 1.0
0.00000000 0.50000000 0.48214286 1.0
0.00000000 0.50000000 0.50000000 1.0
0.50000000 0.50000000 0.00000000 1.0
0.50000000 0.50000000 0.01785714 1.0
0.50000000 0.50000000 0.03571429 1.0
0.50000000 0.50000000 0.05357143 1.0
0.50000000 0.50000000 0.07142857 1.0
0.50000000 0.50000000 0.08928571 1.0
0.50000000 0.50000000 0.10714286 1.0
0.50000000 0.50000000 0.12500000 1.0
0.50000000 0.50000000 0.14285714 1.0
0.50000000 0.50000000 0.16071429 1.0
0.50000000 0.50000000 0.17857143 1.0
0.50000000 0.50000000 0.19642857 1.0
0.50000000 0.50000000 0.21428571 1.0
0.50000000 0.50000000 0.23214286 1.0
0.50000000 0.50000000 0.25000000 1.0
0.50000000 0.50000000 0.26785714 1.0
0.50000000 0.50000000 0.28571429 1.0
0.50000000 0.50000000 0.30357143 1.0
0.50000000 0.50000000 0.32142857 1.0
0.50000000 0.50000000 0.33928571 1.0
0.50000000 0.50000000 0.35714286 1.0
0.50000000 0.50000000 0.37500000 1.0
0.50000000 0.50000000 0.39285714 1.0
0.50000000 0.50000000 0.41071429 1.0
0.50000000 0.50000000 0.42857143 1.0
0.50000000 0.50000000 0.44642857 1.0
0.50000000 0.50000000 0.46428571 1.0
0.50000000 0.50000000 0.48214286 1.0
0.50000000 0.50000000 0.50000000 1.0