! Pwscf input file created with ciftopw.py 
! Compound: NaCa2IO6
&control
         calculation     = 'bands'
         prefix          = 'NaCa2IO6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.9435921748978995
         celldm(2)       =            0.9562224793217178
         celldm(3)       =            1.6586676106439193
         celldm(4)       =            0.5635318161779123
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        4
         ecutwfc         =       67.00000000
         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 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
235
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02500000 1.0 
      0.00000000       0.00000000       0.05000000 1.0 
      0.00000000       0.00000000       0.07500000 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.15000000 1.0 
      0.00000000       0.00000000       0.17500000 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.22500000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
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      0.00000000       0.00000000       0.32500000 1.0 
      0.00000000       0.00000000       0.35000000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
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      0.00000000       0.01705674       0.51667304 1.0 
      0.00000000       0.03411348       0.53334609 1.0 
      0.00000000       0.05117022       0.55001913 1.0 
      0.00000000       0.06822696       0.56669218 1.0 
      0.00000000       0.08528370       0.58336522 1.0 
      0.00000000       0.10234044       0.60003827 1.0 
      0.00000000       0.11939719       0.61671131 1.0 
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      0.00000000       0.15351067       0.65005740 1.0 
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      0.00000000       0.18762415       0.68340349 1.0 
      0.00000000       0.20468089       0.70007653 1.0 
      0.00000000       0.22173763       0.71674958 1.0 
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      0.00000000       0.39230504       0.88348002 1.0 
      0.00000000       0.40936178       0.90015306 1.0 
      0.00000000       0.42641852       0.91682611 1.0 
      0.00000000       0.44347526       0.93349915 1.0 
      0.00000000       0.46053200       0.95017220 1.0 
      0.00000000       0.47758874       0.96684524 1.0 
      0.00000000       0.49464548       0.98351828 1.0 
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      0.00000000       0.49625184       0.83846280 1.0 
      0.00000000       0.49651956       0.81428688 1.0 
      0.00000000       0.49678729       0.79011097 1.0 
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      0.00000000       0.49732274       0.74175914 1.0 
      0.00000000       0.49759047       0.71758323 1.0 
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      0.00000000       0.49812592       0.66923140 1.0 
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      0.00000000       0.49866137       0.62087957 1.0 
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      0.00000000       0.49919682       0.57252774 1.0 
      0.00000000       0.49946455       0.54835183 1.0 
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      0.01785714       0.50000000       0.50000000 1.0 
      0.03571429       0.50000000       0.50000000 1.0 
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      0.14285714       0.50000000       0.50000000 1.0 
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      0.19642857       0.50000000       0.50000000 1.0 
      0.21428571       0.50000000       0.50000000 1.0 
      0.23214286       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
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      0.41071429       0.50000000       0.50000000 1.0 
      0.42857143       0.50000000       0.50000000 1.0 
      0.44642857       0.50000000       0.50000000 1.0 
      0.46428571       0.50000000       0.50000000 1.0 
      0.48214286       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50026773       0.47582409 1.0 
      0.50000000       0.50053545       0.45164817 1.0 
      0.50000000       0.50080318       0.42747226 1.0 
      0.50000000       0.50107090       0.40329634 1.0 
      0.50000000       0.50133863       0.37912043 1.0 
      0.50000000       0.50160636       0.35494451 1.0 
      0.50000000       0.50187408       0.33076860 1.0 
      0.50000000       0.50214181       0.30659269 1.0 
      0.50000000       0.50240953       0.28241677 1.0 
      0.50000000       0.50267726       0.25824086 1.0 
      0.50000000       0.50294499       0.23406494 1.0 
      0.50000000       0.50321271       0.20988903 1.0 
      0.50000000       0.50348044       0.18571312 1.0 
      0.50000000       0.50374816       0.16153720 1.0 
      0.50000000       0.50401589       0.13736129 1.0 
      0.50000000       0.50428361       0.11318537 1.0 
      0.50000000       0.50455134       0.08900946 1.0 
      0.50000000       0.50481907       0.06483354 1.0 
      0.50000000       0.50508679       0.04065763 1.0 
      0.50000000       0.50535452       0.01648172 1.0 
      0.50000000       0.50535452       0.01648172 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
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      0.48214286       0.50000000      -0.00000000 1.0 
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      0.39285714       0.50000000      -0.00000000 1.0 
      0.37500000       0.50000000      -0.00000000 1.0 
      0.35714286       0.50000000      -0.00000000 1.0 
      0.33928571       0.50000000      -0.00000000 1.0 
      0.32142857       0.50000000      -0.00000000 1.0 
      0.30357143       0.50000000      -0.00000000 1.0 
      0.28571429       0.50000000      -0.00000000 1.0 
      0.26785714       0.50000000      -0.00000000 1.0 
      0.25000000       0.50000000      -0.00000000 1.0 
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      0.21428571       0.50000000      -0.00000000 1.0 
      0.19642857       0.50000000      -0.00000000 1.0 
      0.17857143       0.50000000      -0.00000000 1.0 
      0.16071429       0.50000000      -0.00000000 1.0 
      0.14285714       0.50000000      -0.00000000 1.0 
      0.12500000       0.50000000      -0.00000000 1.0 
      0.10714286       0.50000000      -0.00000000 1.0 
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      0.00000000       0.50535452       0.01648172 1.0 
      0.50000000       0.49464548       0.98351828 1.0 
      0.50000000       0.47758874       0.96684524 1.0 
      0.50000000       0.46053200       0.95017220 1.0 
      0.50000000       0.44347526       0.93349915 1.0 
      0.50000000       0.42641852       0.91682611 1.0 
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      0.50000000       0.11939719       0.61671131 1.0 
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      0.50000000       0.05117022       0.55001913 1.0 
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      0.50000000       0.01705674       0.51667304 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
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      0.50000000       0.00000000       0.40000000 1.0 
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      0.50000000       0.00000000       0.35000000 1.0 
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      0.50000000       0.00000000       0.30000000 1.0 
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      0.50000000       0.00000000       0.25000000 1.0 
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      0.07142857       0.00000000       0.50000000 1.0 
      0.08928571       0.00000000       0.50000000 1.0 
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      0.21428571       0.00000000       0.50000000 1.0 
      0.23214286       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.26785714       0.00000000       0.50000000 1.0 
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      0.32142857       0.00000000       0.50000000 1.0 
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