! Pwscf input file created with ciftopw.py 
! Compound: H10C9O4
&control
         calculation     = 'bands'
         prefix          = 'H10C9O4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.3592029123414999
         celldm(2)       =            1.2851814174296368
         celldm(3)       =            1.9678987227308693
         celldm(4)       =            0.1595538321251803
         celldm(5)       =            0.1746278154293438
         celldm(6)       =            0.1425598339416404
         nat             =       23
         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
 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 
 C  12.0107 C.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
251
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      0.48648649      -0.00000000      -0.00000000 1.0 
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      0.15909091       0.15909091      -0.00000000 1.0 
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      0.00000000       0.00000000       0.21052632 1.0 
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      0.00000000       0.00000000       0.26315789 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
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      0.48717949      -0.00000000       0.48717949 1.0 
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      0.46153846      -0.00000000       0.46153846 1.0 
      0.44871795      -0.00000000       0.44871795 1.0 
      0.43589744       0.00000000       0.43589744 1.0 
      0.42307692      -0.00000000       0.42307692 1.0 
      0.41025641      -0.00000000       0.41025641 1.0 
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      0.33333333      -0.00000000       0.33333333 1.0 
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      0.45454545       0.45454545       0.45454545 1.0 
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