! Pwscf input file created with ciftopw.py 
! Compound: BaVS3
&control
         calculation     = 'bands'
         prefix          = 'BaVS3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.5719146867038809
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8410029157799706
         celldm(4)       =            0.0006763415518019
         celldm(5)       =            0.0006763415518019
         celldm(6)       =            0.4831410708219606
         nat             =       10
         ntyp            =        3
         ecutwfc         =       48.00000000
         ecutrho         =      646.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 V  50.9415 V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
258
      0.00000000       0.00000000       0.00000000 1.0 
      0.01785714       0.01785714       0.00000000 1.0 
      0.03571429       0.03571429       0.00000000 1.0 
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      0.12500000       0.12500000       0.00000000 1.0 
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      0.16071429       0.16071429       0.00000000 1.0 
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      0.19642857       0.19642857       0.00000000 1.0 
      0.21428571       0.21428571       0.00000000 1.0 
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      0.25000000       0.25000000       0.00000000 1.0 
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      0.33928571       0.33928571       0.00000000 1.0 
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      0.37500000       0.37500000       0.00000000 1.0 
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      0.50000000       0.50000000       0.00000000 1.0 
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      0.50001386       0.50001386       0.01722817 1.0 
      0.50002771       0.50002771       0.03445633 1.0 
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      0.50011084       0.50011084       0.13782532 1.0 
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      0.50019397       0.50019397       0.24119431 1.0 
      0.50020783       0.50020783       0.25842248 1.0 
      0.50022168       0.50022168       0.27565065 1.0 
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      0.50024939       0.50024939       0.31010698 1.0 
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      0.50033252       0.50033252       0.41347597 1.0 
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      0.50040180       0.50040180       0.49961679 1.0 
      0.50040180       0.50040180       0.49961679 1.0 
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      0.20008322      -0.20008322       0.50000000 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
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      0.19627072       0.19627072       0.50015055 1.0 
      0.21411352       0.21411352       0.50016423 1.0 
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      0.24979910       0.24979910       0.50019160 1.0 
      0.26764190       0.26764190       0.50020529 1.0 
      0.28548469       0.28548469       0.50021897 1.0 
      0.30332748       0.30332748       0.50023266 1.0 
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      0.35685586       0.35685586       0.50027372 1.0 
      0.37469865       0.37469865       0.50028740 1.0 
      0.39254145       0.39254145       0.50030109 1.0 
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      0.50000000       0.50000000       0.00000000 1.0 
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