! Pwscf input file created with ciftopw.py 
! Compound: NaSb(PS3)2
&control
         calculation     = 'bands'
         prefix          = 'NaSbxPS3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.9826495104077004
         celldm(2)       =            0.8942332382792967
         celldm(3)       =            1.3372886624410418
         celldm(4)       =            0.0369925378826119
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        4
         ecutwfc         =       67.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
 P  30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
193
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.03125000 1.0 
      0.00000000       0.00000000       0.06250000 1.0 
      0.00000000       0.00000000       0.09375000 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.15625000 1.0 
      0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.21875000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.28125000 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.34375000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.40625000 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000       0.00000000       0.46875000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02034583       0.50112555 1.0 
      0.00000000       0.04069166       0.50225110 1.0 
      0.00000000       0.06103749       0.50337664 1.0 
      0.00000000       0.08138332       0.50450219 1.0 
      0.00000000       0.10172915       0.50562774 1.0 
      0.00000000       0.12207498       0.50675329 1.0 
      0.00000000       0.14242081       0.50787883 1.0 
      0.00000000       0.16276664       0.50900438 1.0 
      0.00000000       0.18311247       0.51012993 1.0 
      0.00000000       0.20345830       0.51125548 1.0 
      0.00000000       0.22380413       0.51238102 1.0 
      0.00000000       0.24414996       0.51350657 1.0 
      0.00000000       0.26449579       0.51463212 1.0 
      0.00000000       0.28484162       0.51575767 1.0 
      0.00000000       0.30518745       0.51688322 1.0 
      0.00000000       0.32553328       0.51800876 1.0 
      0.00000000       0.34587911       0.51913431 1.0 
      0.00000000       0.36622494       0.52025986 1.0 
      0.00000000       0.38657077       0.52138541 1.0 
      0.00000000       0.40691660       0.52251095 1.0 
      0.00000000       0.42726243       0.52363650 1.0 
      0.00000000       0.44760826       0.52476205 1.0 
      0.00000000       0.46795409       0.52588760 1.0 
      0.00000000       0.48829992       0.52701314 1.0 
      0.00000000       0.48829992       0.52701314 1.0 
      0.00000000       0.49414996       0.51350657 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02272727       0.50000000       0.50000000 1.0 
      0.04545455       0.50000000       0.50000000 1.0 
      0.06818182       0.50000000       0.50000000 1.0 
      0.09090909       0.50000000       0.50000000 1.0 
      0.11363636       0.50000000       0.50000000 1.0 
      0.13636364       0.50000000       0.50000000 1.0 
      0.15909091       0.50000000       0.50000000 1.0 
      0.18181818       0.50000000       0.50000000 1.0 
      0.20454545       0.50000000       0.50000000 1.0 
      0.22727273       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.27272727       0.50000000       0.50000000 1.0 
      0.29545455       0.50000000       0.50000000 1.0 
      0.31818182       0.50000000       0.50000000 1.0 
      0.34090909       0.50000000       0.50000000 1.0 
      0.36363636       0.50000000       0.50000000 1.0 
      0.38636364       0.50000000       0.50000000 1.0 
      0.40909091       0.50000000       0.50000000 1.0 
      0.43181818       0.50000000       0.50000000 1.0 
      0.45454545       0.50000000       0.50000000 1.0 
      0.47727273       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50585004       0.48649343 1.0 
      0.50000000       0.51170008       0.47298686 1.0 
      0.50000000       0.51170008       0.47298686 1.0 
      0.50000000       0.51096883       0.44342518 1.0 
      0.50000000       0.51023757       0.41386350 1.0 
      0.50000000       0.50950632       0.38430182 1.0 
      0.50000000       0.50877506       0.35474014 1.0 
      0.50000000       0.50804381       0.32517846 1.0 
      0.50000000       0.50731255       0.29561678 1.0 
      0.50000000       0.50658130       0.26605511 1.0 
      0.50000000       0.50585004       0.23649343 1.0 
      0.50000000       0.50511879       0.20693175 1.0 
      0.50000000       0.50438753       0.17737007 1.0 
      0.50000000       0.50365628       0.14780839 1.0 
      0.50000000       0.50292502       0.11824671 1.0 
      0.50000000       0.50219377       0.08868504 1.0 
      0.50000000       0.50146251       0.05912336 1.0 
      0.50000000       0.50073126       0.02956168 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.47727273       0.50000000      -0.00000000 1.0 
      0.45454545       0.50000000      -0.00000000 1.0 
      0.43181818       0.50000000      -0.00000000 1.0 
      0.40909091       0.50000000      -0.00000000 1.0 
      0.38636364       0.50000000      -0.00000000 1.0 
      0.36363636       0.50000000      -0.00000000 1.0 
      0.34090909       0.50000000      -0.00000000 1.0 
      0.31818182       0.50000000      -0.00000000 1.0 
      0.29545455       0.50000000      -0.00000000 1.0 
      0.27272727       0.50000000      -0.00000000 1.0 
      0.25000000       0.50000000      -0.00000000 1.0 
      0.22727273       0.50000000      -0.00000000 1.0 
      0.20454545       0.50000000      -0.00000000 1.0 
      0.18181818       0.50000000      -0.00000000 1.0 
      0.15909091       0.50000000      -0.00000000 1.0 
      0.13636364       0.50000000      -0.00000000 1.0 
      0.11363636       0.50000000      -0.00000000 1.0 
      0.09090909       0.50000000      -0.00000000 1.0 
      0.06818182       0.50000000      -0.00000000 1.0 
      0.04545455       0.50000000      -0.00000000 1.0 
      0.02272727       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50073126       0.02956168 1.0 
      0.00000000       0.50146251       0.05912336 1.0 
      0.00000000       0.50219377       0.08868504 1.0 
      0.00000000       0.50292502       0.11824671 1.0 
      0.00000000       0.50365628       0.14780839 1.0 
      0.00000000       0.50438753       0.17737007 1.0 
      0.00000000       0.50511879       0.20693175 1.0 
      0.00000000       0.50585004       0.23649343 1.0 
      0.00000000       0.50658130       0.26605511 1.0 
      0.00000000       0.50731255       0.29561678 1.0 
      0.00000000       0.50804381       0.32517846 1.0 
      0.00000000       0.50877506       0.35474014 1.0 
      0.00000000       0.50950632       0.38430182 1.0 
      0.00000000       0.51023757       0.41386350 1.0 
      0.00000000       0.51096883       0.44342518 1.0 
      0.00000000       0.51170008       0.47298686 1.0 
      0.50000000       0.48829992       0.52701314 1.0 
      0.50000000       0.46795409       0.52588760 1.0 
      0.50000000       0.44760826       0.52476205 1.0 
      0.50000000       0.42726243       0.52363650 1.0 
      0.50000000       0.40691660       0.52251095 1.0 
      0.50000000       0.38657077       0.52138541 1.0 
      0.50000000       0.36622494       0.52025986 1.0 
      0.50000000       0.34587911       0.51913431 1.0 
      0.50000000       0.32553328       0.51800876 1.0 
      0.50000000       0.30518745       0.51688322 1.0 
      0.50000000       0.28484162       0.51575767 1.0 
      0.50000000       0.26449579       0.51463212 1.0 
      0.50000000       0.24414996       0.51350657 1.0 
      0.50000000       0.22380413       0.51238102 1.0 
      0.50000000       0.20345830       0.51125548 1.0 
      0.50000000       0.18311247       0.51012993 1.0 
      0.50000000       0.16276664       0.50900438 1.0 
      0.50000000       0.14242081       0.50787883 1.0 
      0.50000000       0.12207498       0.50675329 1.0 
      0.50000000       0.10172915       0.50562774 1.0 
      0.50000000       0.08138332       0.50450219 1.0 
      0.50000000       0.06103749       0.50337664 1.0 
      0.50000000       0.04069166       0.50225110 1.0 
      0.50000000       0.02034583       0.50112555 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.46875000 1.0 
      0.50000000       0.00000000       0.43750000 1.0 
      0.50000000       0.00000000       0.40625000 1.0 
      0.50000000       0.00000000       0.37500000 1.0 
      0.50000000       0.00000000       0.34375000 1.0 
      0.50000000       0.00000000       0.31250000 1.0 
      0.50000000       0.00000000       0.28125000 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.21875000 1.0 
      0.50000000       0.00000000       0.18750000 1.0 
      0.50000000       0.00000000       0.15625000 1.0 
      0.50000000       0.00000000       0.12500000 1.0 
      0.50000000       0.00000000       0.09375000 1.0 
      0.50000000       0.00000000       0.06250000 1.0 
      0.50000000       0.00000000       0.03125000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02272727       0.00000000       0.50000000 1.0 
      0.04545455       0.00000000       0.50000000 1.0 
      0.06818182       0.00000000       0.50000000 1.0 
      0.09090909       0.00000000       0.50000000 1.0 
      0.11363636       0.00000000       0.50000000 1.0 
      0.13636364       0.00000000       0.50000000 1.0 
      0.15909091       0.00000000       0.50000000 1.0 
      0.18181818       0.00000000       0.50000000 1.0 
      0.20454545       0.00000000       0.50000000 1.0 
      0.22727273       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.27272727       0.00000000       0.50000000 1.0 
      0.29545455       0.00000000       0.50000000 1.0 
      0.31818182       0.00000000       0.50000000 1.0 
      0.34090909       0.00000000       0.50000000 1.0 
      0.36363636       0.00000000       0.50000000 1.0 
      0.38636364       0.00000000       0.50000000 1.0 
      0.40909091       0.00000000       0.50000000 1.0 
      0.43181818       0.00000000       0.50000000 1.0 
      0.45454545       0.00000000       0.50000000 1.0 
      0.47727273       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

