! Pwscf input file created with ciftopw.py 
! Compound: BaCrS2
&control
         calculation     = 'bands'
         prefix          = 'BaCrS2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.0513665487333999
         celldm(2)       =            1.1252875181899265
         celldm(3)       =            2.2163310331878137
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =        8
         ntyp            =        3
         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
Cr  51.9961 Cr.rel-pbe-oncvpsp.UPF 
 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 
ATOMIC_POSITIONS crystal
K_POINTS crystal
360
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      0.02702703      -0.00000000       0.00000000 1.0 
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      0.00000000       0.00000000       0.08823529 1.0 
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     -0.00000000      -0.00000000       0.14705882 1.0 
      0.00000000       0.00000000       0.17647059 1.0 
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     -0.00000000      -0.00000000       0.26470588 1.0 
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     -0.00000000       0.00000000       0.47058824 1.0 
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      0.08108108      -0.00000000       0.50000000 1.0 
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