! Pwscf input file created with ciftopw.py 
! Compound: BaCO3
&control
         calculation     = 'bands'
         prefix          = 'BaCO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.9777532219200005
         celldm(2)       =            1.2102272727272725
         celldm(3)       =            1.6723484848484849
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        3
         ecutwfc         =       47.00000000
         ecutrho         =      327.00000000
         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
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 C  12.0107 C.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
304
      0.00000000       0.00000000       0.00000000 1.0 
      0.01666667       0.00000000       0.00000000 1.0 
      0.03333333       0.00000000       0.00000000 1.0 
      0.05000000      -0.00000000       0.00000000 1.0 
      0.06666667       0.00000000       0.00000000 1.0 
      0.08333333      -0.00000000       0.00000000 1.0 
      0.10000000      -0.00000000       0.00000000 1.0 
      0.11666667      -0.00000000       0.00000000 1.0 
      0.13333333       0.00000000       0.00000000 1.0 
      0.15000000       0.00000000       0.00000000 1.0 
      0.16666667      -0.00000000       0.00000000 1.0 
      0.18333333       0.00000000       0.00000000 1.0 
      0.20000000      -0.00000000       0.00000000 1.0 
      0.21666667      -0.00000000       0.00000000 1.0 
      0.23333333      -0.00000000       0.00000000 1.0 
      0.25000000      -0.00000000       0.00000000 1.0 
      0.26666667       0.00000000       0.00000000 1.0 
      0.28333333       0.00000000       0.00000000 1.0 
      0.30000000       0.00000000       0.00000000 1.0 
      0.31666667       0.00000000       0.00000000 1.0 
      0.33333333      -0.00000000       0.00000000 1.0 
      0.35000000       0.00000000       0.00000000 1.0 
      0.36666667       0.00000000       0.00000000 1.0 
      0.38333333       0.00000000       0.00000000 1.0 
      0.40000000      -0.00000000       0.00000000 1.0 
      0.41666667       0.00000000       0.00000000 1.0 
      0.43333333      -0.00000000       0.00000000 1.0 
      0.45000000      -0.00000000       0.00000000 1.0 
      0.46666667      -0.00000000       0.00000000 1.0 
      0.48333333       0.00000000       0.00000000 1.0 
      0.50000000      -0.00000000       0.00000000 1.0 
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      0.50000000       0.04000000       0.00000000 1.0 
      0.50000000       0.06000000       0.00000000 1.0 
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      0.50000000       0.10000000       0.00000000 1.0 
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      0.50000000       0.30000000       0.00000000 1.0 
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      0.50000000       0.34000000       0.00000000 1.0 
      0.50000000       0.36000000       0.00000000 1.0 
      0.50000000       0.38000000       0.00000000 1.0 
      0.50000000       0.40000000       0.00000000 1.0 
      0.50000000       0.42000000       0.00000000 1.0 
      0.50000000       0.44000000       0.00000000 1.0 
      0.50000000       0.46000000       0.00000000 1.0 
      0.50000000       0.48000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.46666667       0.50000000       0.00000000 1.0 
      0.45000000       0.50000000       0.00000000 1.0 
      0.43333333       0.50000000       0.00000000 1.0 
      0.41666667       0.50000000       0.00000000 1.0 
      0.40000000       0.50000000       0.00000000 1.0 
      0.38333333       0.50000000       0.00000000 1.0 
      0.36666667       0.50000000       0.00000000 1.0 
      0.35000000       0.50000000       0.00000000 1.0 
      0.33333333       0.50000000       0.00000000 1.0 
      0.31666667       0.50000000       0.00000000 1.0 
      0.30000000       0.50000000       0.00000000 1.0 
      0.28333333       0.50000000       0.00000000 1.0 
      0.26666667       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.23333333       0.50000000       0.00000000 1.0 
      0.21666667       0.50000000       0.00000000 1.0 
      0.20000000       0.50000000       0.00000000 1.0 
      0.18333333       0.50000000       0.00000000 1.0 
      0.16666667       0.50000000       0.00000000 1.0 
      0.15000000       0.50000000       0.00000000 1.0 
      0.13333333       0.50000000       0.00000000 1.0 
      0.11666667       0.50000000       0.00000000 1.0 
      0.10000000       0.50000000       0.00000000 1.0 
      0.08333333       0.50000000       0.00000000 1.0 
      0.06666667       0.50000000       0.00000000 1.0 
      0.05000000       0.50000000       0.00000000 1.0 
      0.03333333       0.50000000       0.00000000 1.0 
      0.01666667       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.48000000       0.00000000 1.0 
      0.00000000       0.46000000       0.00000000 1.0 
      0.00000000       0.44000000       0.00000000 1.0 
      0.00000000       0.42000000       0.00000000 1.0 
      0.00000000       0.40000000       0.00000000 1.0 
      0.00000000       0.38000000       0.00000000 1.0 
      0.00000000       0.36000000       0.00000000 1.0 
      0.00000000       0.34000000       0.00000000 1.0 
      0.00000000       0.32000000       0.00000000 1.0 
      0.00000000       0.30000000       0.00000000 1.0 
      0.00000000       0.28000000       0.00000000 1.0 
      0.00000000       0.26000000       0.00000000 1.0 
      0.00000000       0.24000000       0.00000000 1.0 
      0.00000000       0.22000000       0.00000000 1.0 
      0.00000000       0.20000000       0.00000000 1.0 
      0.00000000       0.18000000       0.00000000 1.0 
      0.00000000       0.16000000       0.00000000 1.0 
      0.00000000       0.14000000       0.00000000 1.0 
      0.00000000       0.12000000       0.00000000 1.0 
      0.00000000       0.10000000       0.00000000 1.0 
      0.00000000       0.08000000       0.00000000 1.0 
      0.00000000       0.06000000       0.00000000 1.0 
      0.00000000       0.04000000       0.00000000 1.0 
      0.00000000       0.02000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000      -0.00000000       0.02777778 1.0 
     -0.00000000      -0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
     -0.00000000      -0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.13888889 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.19444444 1.0 
     -0.00000000      -0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.30555556 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.36111111 1.0 
      0.00000000       0.00000000       0.38888889 1.0 
      0.00000000       0.00000000       0.41666667 1.0 
     -0.00000000      -0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.47222222 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01666667       0.00000000       0.50000000 1.0 
      0.03333333       0.00000000       0.50000000 1.0 
      0.05000000       0.00000000       0.50000000 1.0 
      0.06666667       0.00000000       0.50000000 1.0 
      0.08333333       0.00000000       0.50000000 1.0 
      0.10000000      -0.00000000       0.50000000 1.0 
      0.11666667       0.00000000       0.50000000 1.0 
      0.13333333       0.00000000       0.50000000 1.0 
      0.15000000       0.00000000       0.50000000 1.0 
      0.16666667      -0.00000000       0.50000000 1.0 
      0.18333333       0.00000000       0.50000000 1.0 
      0.20000000      -0.00000000       0.50000000 1.0 
      0.21666667       0.00000000       0.50000000 1.0 
      0.23333333       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.26666667       0.00000000       0.50000000 1.0 
      0.28333333       0.00000000       0.50000000 1.0 
      0.30000000       0.00000000       0.50000000 1.0 
      0.31666667       0.00000000       0.50000000 1.0 
      0.33333333       0.00000000       0.50000000 1.0 
      0.35000000       0.00000000       0.50000000 1.0 
      0.36666667       0.00000000       0.50000000 1.0 
      0.38333333       0.00000000       0.50000000 1.0 
      0.40000000       0.00000000       0.50000000 1.0 
      0.41666667       0.00000000       0.50000000 1.0 
      0.43333333       0.00000000       0.50000000 1.0 
      0.45000000      -0.00000000       0.50000000 1.0 
      0.46666667       0.00000000       0.50000000 1.0 
      0.48333333       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.02000000       0.50000000 1.0 
      0.50000000       0.04000000       0.50000000 1.0 
      0.50000000       0.06000000       0.50000000 1.0 
      0.50000000       0.08000000       0.50000000 1.0 
      0.50000000       0.10000000       0.50000000 1.0 
      0.50000000       0.12000000       0.50000000 1.0 
      0.50000000       0.14000000       0.50000000 1.0 
      0.50000000       0.16000000       0.50000000 1.0 
      0.50000000       0.18000000       0.50000000 1.0 
      0.50000000       0.20000000       0.50000000 1.0 
      0.50000000       0.22000000       0.50000000 1.0 
      0.50000000       0.24000000       0.50000000 1.0 
      0.50000000       0.26000000       0.50000000 1.0 
      0.50000000       0.28000000       0.50000000 1.0 
      0.50000000       0.30000000       0.50000000 1.0 
      0.50000000       0.32000000       0.50000000 1.0 
      0.50000000       0.34000000       0.50000000 1.0 
      0.50000000       0.36000000       0.50000000 1.0 
      0.50000000       0.38000000       0.50000000 1.0 
      0.50000000       0.40000000       0.50000000 1.0 
      0.50000000       0.42000000       0.50000000 1.0 
      0.50000000       0.44000000       0.50000000 1.0 
      0.50000000       0.46000000       0.50000000 1.0 
      0.50000000       0.48000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48333333       0.50000000       0.50000000 1.0 
      0.46666667       0.50000000       0.50000000 1.0 
      0.45000000       0.50000000       0.50000000 1.0 
      0.43333333       0.50000000       0.50000000 1.0 
      0.41666667       0.50000000       0.50000000 1.0 
      0.40000000       0.50000000       0.50000000 1.0 
      0.38333333       0.50000000       0.50000000 1.0 
      0.36666667       0.50000000       0.50000000 1.0 
      0.35000000       0.50000000       0.50000000 1.0 
      0.33333333       0.50000000       0.50000000 1.0 
      0.31666667       0.50000000       0.50000000 1.0 
      0.30000000       0.50000000       0.50000000 1.0 
      0.28333333       0.50000000       0.50000000 1.0 
      0.26666667       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.23333333       0.50000000       0.50000000 1.0 
      0.21666667       0.50000000       0.50000000 1.0 
      0.20000000       0.50000000       0.50000000 1.0 
      0.18333333       0.50000000       0.50000000 1.0 
      0.16666667       0.50000000       0.50000000 1.0 
      0.15000000       0.50000000       0.50000000 1.0 
      0.13333333       0.50000000       0.50000000 1.0 
      0.11666667       0.50000000       0.50000000 1.0 
      0.10000000       0.50000000       0.50000000 1.0 
      0.08333333       0.50000000       0.50000000 1.0 
      0.06666667       0.50000000       0.50000000 1.0 
      0.05000000       0.50000000       0.50000000 1.0 
      0.03333333       0.50000000       0.50000000 1.0 
      0.01666667       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.48000000       0.50000000 1.0 
      0.00000000       0.46000000       0.50000000 1.0 
      0.00000000       0.44000000       0.50000000 1.0 
      0.00000000       0.42000000       0.50000000 1.0 
      0.00000000       0.40000000       0.50000000 1.0 
      0.00000000       0.38000000       0.50000000 1.0 
      0.00000000       0.36000000       0.50000000 1.0 
      0.00000000       0.34000000       0.50000000 1.0 
      0.00000000       0.32000000       0.50000000 1.0 
      0.00000000       0.30000000       0.50000000 1.0 
      0.00000000       0.28000000       0.50000000 1.0 
      0.00000000       0.26000000       0.50000000 1.0 
      0.00000000       0.24000000       0.50000000 1.0 
      0.00000000       0.22000000       0.50000000 1.0 
      0.00000000       0.20000000       0.50000000 1.0 
      0.00000000       0.18000000       0.50000000 1.0 
      0.00000000       0.16000000       0.50000000 1.0 
      0.00000000       0.14000000       0.50000000 1.0 
      0.00000000       0.12000000       0.50000000 1.0 
      0.00000000       0.10000000       0.50000000 1.0 
      0.00000000       0.08000000       0.50000000 1.0 
      0.00000000       0.06000000       0.50000000 1.0 
      0.00000000       0.04000000       0.50000000 1.0 
      0.00000000       0.02000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.02777778 1.0 
     -0.00000000       0.50000000       0.05555556 1.0 
      0.00000000       0.50000000       0.08333333 1.0 
     -0.00000000       0.50000000       0.11111111 1.0 
      0.00000000       0.50000000       0.13888889 1.0 
      0.00000000       0.50000000       0.16666667 1.0 
      0.00000000       0.50000000       0.19444444 1.0 
     -0.00000000       0.50000000       0.22222222 1.0 
      0.00000000       0.50000000       0.25000000 1.0 
      0.00000000       0.50000000       0.27777778 1.0 
      0.00000000       0.50000000       0.30555556 1.0 
      0.00000000       0.50000000       0.33333333 1.0 
      0.00000000       0.50000000       0.36111111 1.0 
      0.00000000       0.50000000       0.38888889 1.0 
      0.00000000       0.50000000       0.41666667 1.0 
     -0.00000000       0.50000000       0.44444444 1.0 
      0.00000000       0.50000000       0.47222222 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.47222222 1.0 
      0.50000000      -0.00000000       0.44444444 1.0 
      0.50000000      -0.00000000       0.41666667 1.0 
      0.50000000       0.00000000       0.38888889 1.0 
      0.50000000      -0.00000000       0.36111111 1.0 
      0.50000000       0.00000000       0.33333333 1.0 
      0.50000000      -0.00000000       0.30555556 1.0 
      0.50000000      -0.00000000       0.27777778 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000      -0.00000000       0.22222222 1.0 
      0.50000000      -0.00000000       0.19444444 1.0 
      0.50000000      -0.00000000       0.16666667 1.0 
      0.50000000      -0.00000000       0.13888889 1.0 
      0.50000000      -0.00000000       0.11111111 1.0 
      0.50000000      -0.00000000       0.08333333 1.0 
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      0.50000000      -0.00000000       0.00000000 1.0 
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      0.50000000       0.50000000       0.13888889 1.0 
      0.50000000       0.50000000       0.16666667 1.0 
      0.50000000       0.50000000       0.19444444 1.0 
      0.50000000       0.50000000       0.22222222 1.0 
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      0.50000000       0.50000000       0.30555556 1.0 
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      0.50000000       0.50000000       0.41666667 1.0 
      0.50000000       0.50000000       0.44444444 1.0 
      0.50000000       0.50000000       0.47222222 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

