! Pwscf input file created with ciftopw.py 
! Compound: OsC3I2O3
&control
         calculation     = 'bands'
         prefix          = 'OsC3I2O3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.7720288742558559
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.4368217657390947
         celldm(4)       =            0.2427055298110847
         celldm(5)       =            0.2427055298110847
         celldm(6)       =            0.3442628118677356
         nat             =       18
         ntyp            =        4
         ecutwfc         =       55.00000000
         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 
Os 190.2300 Os.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I.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
223
      0.00000000       0.00000000       0.00000000 1.0 
      0.01666667       0.01666667       0.00000000 1.0 
      0.03333333       0.03333333       0.00000000 1.0 
      0.05000000       0.05000000      -0.00000000 1.0 
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      0.08333333       0.08333333       0.00000000 1.0 
      0.10000000       0.10000000      -0.00000000 1.0 
      0.11666667       0.11666667      -0.00000000 1.0 
      0.13333333       0.13333333       0.00000000 1.0 
      0.15000000       0.15000000       0.00000000 1.0 
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      0.31666667       0.31666667       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
      0.35000000       0.35000000       0.00000000 1.0 
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      0.06044794      -0.06044794       0.50000000 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
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      0.10510555       0.10510555       0.55453233 1.0 
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      0.26276387       0.26276387       0.63633082 1.0 
      0.28028146       0.28028146       0.64541954 1.0 
      0.29779905       0.29779905       0.65450826 1.0 
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      0.42042219       0.42042219       0.71812930 1.0 
      0.43793979       0.43793979       0.72721803 1.0 
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      0.50000000       0.50000000       0.00000000 1.0 
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