! Pwscf input file created with ciftopw.py 
! Compound: CsC2I3N2
&control
         calculation     = 'bands'
         prefix          = 'CsC2I3N2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.6776217414880001
         celldm(2)       =            1.4647212543554007
         celldm(3)       =            3.5918989547038325
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       16
         ntyp            =        4
         ecutwfc         =       80.00000000
         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
 N  14.0067 N.rel-pbe-n-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 
Cs 132.9055 Cs.rel-pbe-oncvpsp.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
288
      0.00000000       0.00000000       0.00000000 1.0 
      0.01428571       0.00000000       0.00000000 1.0 
      0.02857143       0.00000000       0.00000000 1.0 
      0.04285714       0.00000000       0.00000000 1.0 
      0.05714286       0.00000000       0.00000000 1.0 
      0.07142857       0.00000000       0.00000000 1.0 
      0.08571429       0.00000000       0.00000000 1.0 
      0.10000000       0.00000000       0.00000000 1.0 
      0.11428571       0.00000000       0.00000000 1.0 
      0.12857143       0.00000000       0.00000000 1.0 
      0.14285714       0.00000000       0.00000000 1.0 
      0.15714286       0.00000000       0.00000000 1.0 
      0.17142857       0.00000000       0.00000000 1.0 
      0.18571429       0.00000000       0.00000000 1.0 
      0.20000000       0.00000000       0.00000000 1.0 
      0.21428571       0.00000000       0.00000000 1.0 
      0.22857143       0.00000000       0.00000000 1.0 
      0.24285714       0.00000000       0.00000000 1.0 
      0.25714286       0.00000000       0.00000000 1.0 
      0.27142857       0.00000000       0.00000000 1.0 
      0.28571429       0.00000000       0.00000000 1.0 
      0.30000000       0.00000000       0.00000000 1.0 
      0.31428571       0.00000000       0.00000000 1.0 
      0.32857143       0.00000000       0.00000000 1.0 
      0.34285714       0.00000000       0.00000000 1.0 
      0.35714286       0.00000000       0.00000000 1.0 
      0.37142857       0.00000000       0.00000000 1.0 
      0.38571429       0.00000000       0.00000000 1.0 
      0.40000000       0.00000000       0.00000000 1.0 
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      0.47142857       0.00000000       0.00000000 1.0 
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      0.50000000       0.00000000       0.00000000 1.0 
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      0.50000000       0.02083333       0.00000000 1.0 
      0.50000000       0.04166667       0.00000000 1.0 
      0.50000000       0.06250000       0.00000000 1.0 
      0.50000000       0.08333333       0.00000000 1.0 
      0.50000000       0.10416667       0.00000000 1.0 
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      0.50000000       0.14583333       0.00000000 1.0 
      0.50000000       0.16666667       0.00000000 1.0 
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      0.50000000       0.20833333       0.00000000 1.0 
      0.50000000       0.22916667       0.00000000 1.0 
      0.50000000       0.25000000       0.00000000 1.0 
      0.50000000       0.27083333       0.00000000 1.0 
      0.50000000       0.29166667       0.00000000 1.0 
      0.50000000       0.31250000       0.00000000 1.0 
      0.50000000       0.33333333       0.00000000 1.0 
      0.50000000       0.35416667       0.00000000 1.0 
      0.50000000       0.37500000       0.00000000 1.0 
      0.50000000       0.39583333       0.00000000 1.0 
      0.50000000       0.41666667       0.00000000 1.0 
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      0.50000000       0.47916667       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48571429       0.50000000       0.00000000 1.0 
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      0.44285714       0.50000000       0.00000000 1.0 
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      0.40000000       0.50000000       0.00000000 1.0 
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      0.35714286       0.50000000       0.00000000 1.0 
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      0.32857143       0.50000000       0.00000000 1.0 
      0.31428571       0.50000000       0.00000000 1.0 
      0.30000000       0.50000000       0.00000000 1.0 
      0.28571429       0.50000000       0.00000000 1.0 
      0.27142857       0.50000000       0.00000000 1.0 
      0.25714286       0.50000000       0.00000000 1.0 
      0.24285714       0.50000000       0.00000000 1.0 
      0.22857143       0.50000000       0.00000000 1.0 
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      0.20000000       0.50000000       0.00000000 1.0 
      0.18571429       0.50000000       0.00000000 1.0 
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      0.15714286       0.50000000       0.00000000 1.0 
      0.14285714       0.50000000       0.00000000 1.0 
      0.12857143       0.50000000       0.00000000 1.0 
      0.11428571       0.50000000       0.00000000 1.0 
      0.10000000       0.50000000       0.00000000 1.0 
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      0.07142857       0.50000000       0.00000000 1.0 
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      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.47916667       0.00000000 1.0 
      0.00000000       0.45833333       0.00000000 1.0 
      0.00000000       0.43750000       0.00000000 1.0 
      0.00000000       0.41666667       0.00000000 1.0 
      0.00000000       0.39583333       0.00000000 1.0 
      0.00000000       0.37500000       0.00000000 1.0 
      0.00000000       0.35416667       0.00000000 1.0 
      0.00000000       0.33333333       0.00000000 1.0 
      0.00000000       0.31250000       0.00000000 1.0 
      0.00000000       0.29166667       0.00000000 1.0 
      0.00000000       0.27083333       0.00000000 1.0 
      0.00000000       0.25000000       0.00000000 1.0 
      0.00000000       0.22916667       0.00000000 1.0 
      0.00000000       0.20833333       0.00000000 1.0 
      0.00000000       0.18750000       0.00000000 1.0 
      0.00000000       0.16666667       0.00000000 1.0 
      0.00000000       0.14583333       0.00000000 1.0 
      0.00000000       0.12500000       0.00000000 1.0 
      0.00000000       0.10416667       0.00000000 1.0 
      0.00000000       0.08333333       0.00000000 1.0 
      0.00000000       0.06250000       0.00000000 1.0 
      0.00000000       0.04166667       0.00000000 1.0 
      0.00000000       0.02083333       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.05000000 1.0 
      0.00000000      -0.00000000       0.10000000 1.0 
     -0.00000000      -0.00000000       0.15000000 1.0 
      0.00000000      -0.00000000       0.20000000 1.0 
      0.00000000      -0.00000000       0.25000000 1.0 
     -0.00000000      -0.00000000       0.30000000 1.0 
     -0.00000000      -0.00000000       0.35000000 1.0 
      0.00000000      -0.00000000       0.40000000 1.0 
     -0.00000000      -0.00000000       0.45000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.01428571      -0.00000000       0.50000000 1.0 
      0.02857143       0.00000000       0.50000000 1.0 
      0.04285714      -0.00000000       0.50000000 1.0 
      0.05714286      -0.00000000       0.50000000 1.0 
      0.07142857      -0.00000000       0.50000000 1.0 
      0.08571429      -0.00000000       0.50000000 1.0 
      0.10000000       0.00000000       0.50000000 1.0 
      0.11428571       0.00000000       0.50000000 1.0 
      0.12857143       0.00000000       0.50000000 1.0 
      0.14285714       0.00000000       0.50000000 1.0 
      0.15714286       0.00000000       0.50000000 1.0 
      0.17142857       0.00000000       0.50000000 1.0 
      0.18571429       0.00000000       0.50000000 1.0 
      0.20000000       0.00000000       0.50000000 1.0 
      0.21428571      -0.00000000       0.50000000 1.0 
      0.22857143       0.00000000       0.50000000 1.0 
      0.24285714      -0.00000000       0.50000000 1.0 
      0.25714286       0.00000000       0.50000000 1.0 
      0.27142857       0.00000000       0.50000000 1.0 
      0.28571429       0.00000000       0.50000000 1.0 
      0.30000000       0.00000000       0.50000000 1.0 
      0.31428571       0.00000000       0.50000000 1.0 
      0.32857143       0.00000000       0.50000000 1.0 
      0.34285714       0.00000000       0.50000000 1.0 
      0.35714286       0.00000000       0.50000000 1.0 
      0.37142857       0.00000000       0.50000000 1.0 
      0.38571429      -0.00000000       0.50000000 1.0 
      0.40000000       0.00000000       0.50000000 1.0 
      0.41428571      -0.00000000       0.50000000 1.0 
      0.42857143       0.00000000       0.50000000 1.0 
      0.44285714       0.00000000       0.50000000 1.0 
      0.45714286       0.00000000       0.50000000 1.0 
      0.47142857      -0.00000000       0.50000000 1.0 
      0.48571429      -0.00000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.50000000 1.0 
      0.50000000       0.02083333       0.50000000 1.0 
      0.50000000       0.04166667       0.50000000 1.0 
      0.50000000       0.06250000       0.50000000 1.0 
      0.50000000       0.08333333       0.50000000 1.0 
      0.50000000       0.10416667       0.50000000 1.0 
      0.50000000       0.12500000       0.50000000 1.0 
      0.50000000       0.14583333       0.50000000 1.0 
      0.50000000       0.16666667       0.50000000 1.0 
      0.50000000       0.18750000       0.50000000 1.0 
      0.50000000       0.20833333       0.50000000 1.0 
      0.50000000       0.22916667       0.50000000 1.0 
      0.50000000       0.25000000       0.50000000 1.0 
      0.50000000       0.27083333       0.50000000 1.0 
      0.50000000       0.29166667       0.50000000 1.0 
      0.50000000       0.31250000       0.50000000 1.0 
      0.50000000       0.33333333       0.50000000 1.0 
      0.50000000       0.35416667       0.50000000 1.0 
      0.50000000       0.37500000       0.50000000 1.0 
      0.50000000       0.39583333       0.50000000 1.0 
      0.50000000       0.41666667       0.50000000 1.0 
      0.50000000       0.43750000       0.50000000 1.0 
      0.50000000       0.45833333       0.50000000 1.0 
      0.50000000       0.47916667       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48571429       0.50000000       0.50000000 1.0 
      0.47142857       0.50000000       0.50000000 1.0 
      0.45714286       0.50000000       0.50000000 1.0 
      0.44285714       0.50000000       0.50000000 1.0 
      0.42857143       0.50000000       0.50000000 1.0 
      0.41428571       0.50000000       0.50000000 1.0 
      0.40000000       0.50000000       0.50000000 1.0 
      0.38571429       0.50000000       0.50000000 1.0 
      0.37142857       0.50000000       0.50000000 1.0 
      0.35714286       0.50000000       0.50000000 1.0 
      0.34285714       0.50000000       0.50000000 1.0 
      0.32857143       0.50000000       0.50000000 1.0 
      0.31428571       0.50000000       0.50000000 1.0 
      0.30000000       0.50000000       0.50000000 1.0 
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      0.27142857       0.50000000       0.50000000 1.0 
      0.25714286       0.50000000       0.50000000 1.0 
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      0.21428571       0.50000000       0.50000000 1.0 
      0.20000000       0.50000000       0.50000000 1.0 
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      0.15714286       0.50000000       0.50000000 1.0 
      0.14285714       0.50000000       0.50000000 1.0 
      0.12857143       0.50000000       0.50000000 1.0 
      0.11428571       0.50000000       0.50000000 1.0 
      0.10000000       0.50000000       0.50000000 1.0 
      0.08571429       0.50000000       0.50000000 1.0 
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      0.05714286       0.50000000       0.50000000 1.0 
      0.04285714       0.50000000       0.50000000 1.0 
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      0.01428571       0.50000000       0.50000000 1.0 
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      0.00000000       0.47916667       0.50000000 1.0 
      0.00000000       0.45833333       0.50000000 1.0 
      0.00000000       0.43750000       0.50000000 1.0 
      0.00000000       0.41666667       0.50000000 1.0 
      0.00000000       0.39583333       0.50000000 1.0 
      0.00000000       0.37500000       0.50000000 1.0 
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      0.00000000       0.29166667       0.50000000 1.0 
      0.00000000       0.27083333       0.50000000 1.0 
      0.00000000       0.25000000       0.50000000 1.0 
      0.00000000       0.22916667       0.50000000 1.0 
      0.00000000       0.20833333       0.50000000 1.0 
      0.00000000       0.18750000       0.50000000 1.0 
      0.00000000       0.16666667       0.50000000 1.0 
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      0.00000000       0.12500000       0.50000000 1.0 
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     -0.00000000       0.50000000       0.15000000 1.0 
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      0.00000000       0.50000000       0.25000000 1.0 
     -0.00000000       0.50000000       0.30000000 1.0 
     -0.00000000       0.50000000       0.35000000 1.0 
      0.00000000       0.50000000       0.40000000 1.0 
     -0.00000000       0.50000000       0.45000000 1.0 
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      0.50000000       0.50000000       0.40000000 1.0 
      0.50000000       0.50000000       0.45000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

