! 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)       =            9.8435826767009988
         celldm(2)       =            1.0833173353810714
         celldm(3)       =            1.4569015166058747
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        3
         ecutwfc         =       57.00000000
         ecutrho         =      324.00000000
         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 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Ir 192.2170 Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
332
      0.00000000       0.00000000       0.00000000 1.0 
      0.01612903      -0.00000000       0.00000000 1.0 
      0.03225806      -0.00000000       0.00000000 1.0 
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      0.12903226      -0.00000000       0.00000000 1.0 
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      0.00000000       0.08928571       0.00000000 1.0 
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     -0.00000000       0.00000000       0.14285714 1.0 
     -0.00000000      -0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.19047619 1.0 
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      0.00000000      -0.00000000       0.30952381 1.0 
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      0.00000000       0.00000000       0.40476190 1.0 
      0.00000000       0.00000000       0.42857143 1.0 
      0.00000000       0.00000000       0.45238095 1.0 
      0.00000000       0.00000000       0.47619048 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
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      0.01612903       0.00000000       0.50000000 1.0 
      0.03225806      -0.00000000       0.50000000 1.0 
      0.04838710      -0.00000000       0.50000000 1.0 
      0.06451613       0.00000000       0.50000000 1.0 
      0.08064516      -0.00000000       0.50000000 1.0 
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      0.14516129       0.00000000       0.50000000 1.0 
      0.16129032      -0.00000000       0.50000000 1.0 
      0.17741935      -0.00000000       0.50000000 1.0 
      0.19354839      -0.00000000       0.50000000 1.0 
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      0.22580645       0.00000000       0.50000000 1.0 
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      0.25806452      -0.00000000       0.50000000 1.0 
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      0.33870968      -0.00000000       0.50000000 1.0 
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      0.38709677      -0.00000000       0.50000000 1.0 
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      0.41935484      -0.00000000       0.50000000 1.0 
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      0.50000000       0.23214286       0.50000000 1.0 
      0.50000000       0.25000000       0.50000000 1.0 
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      0.50000000       0.32142857       0.50000000 1.0 
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