! Pwscf input file created with ciftopw.py 
! Compound: NaCN
&control
         calculation     = 'bands'
         prefix          = 'NaCN'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            6.8597053400699997
         celldm(2)       =            1.3360881542699723
         celldm(3)       =            1.5013774104683197
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =        6
         ntyp            =        3
         ecutwfc         =       67.00000000
         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
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
 C  12.0107 C.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 N  14.0067 N.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
436
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      0.50000000       0.00000000       0.20689655 1.0 
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      0.50000000       0.00000000       0.17241379 1.0 
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      0.50000000       0.00000000       0.10344828 1.0 
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      0.50000000       0.00000000       0.01724138 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
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      0.50000000       0.50000000       0.01724138 1.0 
      0.50000000       0.50000000       0.03448276 1.0 
      0.50000000       0.50000000       0.05172414 1.0 
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      0.50000000       0.50000000       0.46551724 1.0 
      0.50000000       0.50000000       0.48275862 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

