! 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)       =           12.5919339759497682
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8403261741219927
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.4858186180948460
         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
312
      0.00000000       0.00000000       0.00000000 1.0 
      0.01051609       0.01051609       0.00000000 1.0 
      0.02103218       0.02103218       0.00000000 1.0 
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      0.27341830       0.36716830       0.50000000 1.0 
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      0.33651483       0.33651483       0.50000000 1.0 
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      0.32599874       0.32599874       0.50000000 1.0 
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      0.30496656       0.30496656       0.50000000 1.0 
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      0.26290221       0.26290221       0.50000000 1.0 
      0.25238612       0.25238612       0.50000000 1.0 
      0.24187003       0.24187003       0.50000000 1.0 
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      0.15774133       0.15774133       0.50000000 1.0 
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      0.13670915       0.13670915       0.50000000 1.0 
      0.12619306       0.12619306       0.50000000 1.0 
      0.11567697       0.11567697       0.50000000 1.0 
      0.10516088       0.10516088       0.50000000 1.0 
      0.09464480       0.09464480       0.50000000 1.0 
      0.08412871       0.08412871       0.50000000 1.0 
      0.07361262       0.07361262       0.50000000 1.0 
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      0.02103218       0.02103218       0.50000000 1.0 
      0.01051609       0.01051609       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
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     -0.00000000       0.00000000       0.48275862 1.0 
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     -0.00000000      -0.00000000       0.41379310 1.0 
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