! Pwscf input file created with ciftopw.py 
! Compound: BH2CO
&control
         calculation     = 'bands'
         prefix          = 'BH2CO'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.0496210588073520
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.7803368496343090
         celldm(4)       =            0.1346808228869236
         celldm(5)       =            0.1346808228869236
         celldm(6)       =            0.7120933045545128
         nat             =       20
         ntyp            =        4
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 H   1.0079 H.rel-pbe-rrkjus_psl.1.0.0.UPF 
 B  10.8110 B.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
309
      0.00000000       0.00000000       0.00000000 1.0 
      0.01666667       0.01666667       0.00000000 1.0 
      0.03333333       0.03333333       0.00000000 1.0 
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      0.08333333       0.08333333       0.00000000 1.0 
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      0.15000000       0.15000000       0.00000000 1.0 
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      0.20000000       0.20000000       0.00000000 1.0 
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      0.33333333       0.33333333       0.00000000 1.0 
      0.35000000       0.35000000       0.00000000 1.0 
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      0.50000000       0.50000000       0.00000000 1.0 
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      0.50231828       0.50231828       0.03064525 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

