! Pwscf input file created with ciftopw.py 
! Compound: CaIrO3
&control
         calculation     = 'bands'
         prefix          = 'CaIrO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.5850573141593767
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            1.4216923939669741
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.8131118433854660
         nat             =       10
         ntyp            =        3
         ecutwfc         =       47.00000000
         ecutrho         =      324.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Ir 192.2170 Ir.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
406
      0.00000000       0.00000000       0.00000000 1.0 
      0.00492445       0.00492445       0.00000000 1.0 
      0.00984889       0.00984889       0.00000000 1.0 
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      0.03447112       0.03447112       0.00000000 1.0 
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      0.06401780       0.06401780       0.00000000 1.0 
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      0.22652452       0.22652452       0.50000000 1.0 
      0.22160007       0.22160007       0.50000000 1.0 
      0.21667563       0.21667563       0.50000000 1.0 
      0.21175118       0.21175118       0.50000000 1.0 
      0.20682673       0.20682673       0.50000000 1.0 
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      0.19697784       0.19697784       0.50000000 1.0 
      0.19205340       0.19205340       0.50000000 1.0 
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      0.17728006       0.17728006       0.50000000 1.0 
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      0.16743117       0.16743117       0.50000000 1.0 
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