! Pwscf input file created with ciftopw.py 
! Compound: NaAlI4
&control
         calculation     = 'bands'
         prefix          = 'NaAlI4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           15.3030010589220016
         celldm(2)       =            1.0039515929859224
         celldm(3)       =            1.8586070634724623
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       24
         ntyp            =        3
         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
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Al  26.9815 Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
216
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      0.02500000      -0.00000000       0.00000000 1.0 
      0.05000000      -0.00000000       0.00000000 1.0 
      0.07500000       0.00000000       0.00000000 1.0 
      0.10000000      -0.00000000       0.00000000 1.0 
      0.12500000       0.00000000       0.00000000 1.0 
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      0.17500000       0.00000000       0.00000000 1.0 
      0.20000000      -0.00000000       0.00000000 1.0 
      0.22500000       0.00000000       0.00000000 1.0 
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      0.27500000      -0.00000000       0.00000000 1.0 
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      0.25000000       0.50000000       0.00000000 1.0 
      0.22500000       0.50000000       0.00000000 1.0 
      0.20000000       0.50000000       0.00000000 1.0 
      0.17500000       0.50000000       0.00000000 1.0 
      0.15000000       0.50000000       0.00000000 1.0 
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      0.02500000       0.50000000       0.00000000 1.0 
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      0.00000000       0.47500000       0.00000000 1.0 
      0.00000000       0.45000000       0.00000000 1.0 
      0.00000000       0.42500000       0.00000000 1.0 
      0.00000000       0.40000000       0.00000000 1.0 
      0.00000000       0.37500000       0.00000000 1.0 
      0.00000000       0.35000000       0.00000000 1.0 
      0.00000000       0.32500000       0.00000000 1.0 
      0.00000000       0.30000000       0.00000000 1.0 
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      0.00000000       0.25000000       0.00000000 1.0 
      0.00000000       0.22500000       0.00000000 1.0 
      0.00000000       0.20000000       0.00000000 1.0 
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      0.00000000       0.15000000       0.00000000 1.0 
      0.00000000       0.12500000       0.00000000 1.0 
      0.00000000       0.10000000       0.00000000 1.0 
      0.00000000       0.07500000       0.00000000 1.0 
      0.00000000       0.05000000       0.00000000 1.0 
      0.00000000       0.02500000       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.04545455 1.0 
      0.00000000       0.00000000       0.09090909 1.0 
      0.00000000       0.00000000       0.13636364 1.0 
      0.00000000       0.00000000       0.18181818 1.0 
      0.00000000       0.00000000       0.22727273 1.0 
      0.00000000       0.00000000       0.27272727 1.0 
      0.00000000       0.00000000       0.31818182 1.0 
      0.00000000       0.00000000       0.36363636 1.0 
      0.00000000       0.00000000       0.40909091 1.0 
      0.00000000       0.00000000       0.45454545 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02500000       0.00000000       0.50000000 1.0 
      0.05000000      -0.00000000       0.50000000 1.0 
      0.07500000      -0.00000000       0.50000000 1.0 
      0.10000000       0.00000000       0.50000000 1.0 
      0.12500000       0.00000000       0.50000000 1.0 
      0.15000000       0.00000000       0.50000000 1.0 
      0.17500000       0.00000000       0.50000000 1.0 
      0.20000000       0.00000000       0.50000000 1.0 
      0.22500000       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.27500000      -0.00000000       0.50000000 1.0 
      0.30000000       0.00000000       0.50000000 1.0 
      0.32500000      -0.00000000       0.50000000 1.0 
      0.35000000       0.00000000       0.50000000 1.0 
      0.37500000      -0.00000000       0.50000000 1.0 
      0.40000000      -0.00000000       0.50000000 1.0 
      0.42500000      -0.00000000       0.50000000 1.0 
      0.45000000       0.00000000       0.50000000 1.0 
      0.47500000      -0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.02500000       0.50000000 1.0 
      0.50000000       0.05000000       0.50000000 1.0 
      0.50000000       0.07500000       0.50000000 1.0 
      0.50000000       0.10000000       0.50000000 1.0 
      0.50000000       0.12500000       0.50000000 1.0 
      0.50000000       0.15000000       0.50000000 1.0 
      0.50000000       0.17500000       0.50000000 1.0 
      0.50000000       0.20000000       0.50000000 1.0 
      0.50000000       0.22500000       0.50000000 1.0 
      0.50000000       0.25000000       0.50000000 1.0 
      0.50000000       0.27500000       0.50000000 1.0 
      0.50000000       0.30000000       0.50000000 1.0 
      0.50000000       0.32500000       0.50000000 1.0 
      0.50000000       0.35000000       0.50000000 1.0 
      0.50000000       0.37500000       0.50000000 1.0 
      0.50000000       0.40000000       0.50000000 1.0 
      0.50000000       0.42500000       0.50000000 1.0 
      0.50000000       0.45000000       0.50000000 1.0 
      0.50000000       0.47500000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.47500000       0.50000000       0.50000000 1.0 
      0.45000000       0.50000000       0.50000000 1.0 
      0.42500000       0.50000000       0.50000000 1.0 
      0.40000000       0.50000000       0.50000000 1.0 
      0.37500000       0.50000000       0.50000000 1.0 
      0.35000000       0.50000000       0.50000000 1.0 
      0.32500000       0.50000000       0.50000000 1.0 
      0.30000000       0.50000000       0.50000000 1.0 
      0.27500000       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.22500000       0.50000000       0.50000000 1.0 
      0.20000000       0.50000000       0.50000000 1.0 
      0.17500000       0.50000000       0.50000000 1.0 
      0.15000000       0.50000000       0.50000000 1.0 
      0.12500000       0.50000000       0.50000000 1.0 
      0.10000000       0.50000000       0.50000000 1.0 
      0.07500000       0.50000000       0.50000000 1.0 
      0.05000000       0.50000000       0.50000000 1.0 
      0.02500000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.47500000       0.50000000 1.0 
      0.00000000       0.45000000       0.50000000 1.0 
      0.00000000       0.42500000       0.50000000 1.0 
      0.00000000       0.40000000       0.50000000 1.0 
      0.00000000       0.37500000       0.50000000 1.0 
      0.00000000       0.35000000       0.50000000 1.0 
      0.00000000       0.32500000       0.50000000 1.0 
      0.00000000       0.30000000       0.50000000 1.0 
      0.00000000       0.27500000       0.50000000 1.0 
      0.00000000       0.25000000       0.50000000 1.0 
      0.00000000       0.22500000       0.50000000 1.0 
      0.00000000       0.20000000       0.50000000 1.0 
      0.00000000       0.17500000       0.50000000 1.0 
      0.00000000       0.15000000       0.50000000 1.0 
      0.00000000       0.12500000       0.50000000 1.0 
      0.00000000       0.10000000       0.50000000 1.0 
      0.00000000       0.07500000       0.50000000 1.0 
      0.00000000       0.05000000       0.50000000 1.0 
      0.00000000       0.02500000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.04545455 1.0 
      0.00000000       0.50000000       0.09090909 1.0 
      0.00000000       0.50000000       0.13636364 1.0 
      0.00000000       0.50000000       0.18181818 1.0 
      0.00000000       0.50000000       0.22727273 1.0 
      0.00000000       0.50000000       0.27272727 1.0 
      0.00000000       0.50000000       0.31818182 1.0 
      0.00000000       0.50000000       0.36363636 1.0 
      0.00000000       0.50000000       0.40909091 1.0 
      0.00000000       0.50000000       0.45454545 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.45454545 1.0 
      0.50000000       0.00000000       0.40909091 1.0 
      0.50000000       0.00000000       0.36363636 1.0 
      0.50000000      -0.00000000       0.31818182 1.0 
      0.50000000      -0.00000000       0.27272727 1.0 
      0.50000000       0.00000000       0.22727273 1.0 
      0.50000000       0.00000000       0.18181818 1.0 
      0.50000000      -0.00000000       0.13636364 1.0 
      0.50000000       0.00000000       0.09090909 1.0 
      0.50000000       0.00000000       0.04545455 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.04545455 1.0 
      0.50000000       0.50000000       0.09090909 1.0 
      0.50000000       0.50000000       0.13636364 1.0 
      0.50000000       0.50000000       0.18181818 1.0 
      0.50000000       0.50000000       0.22727273 1.0 
      0.50000000       0.50000000       0.27272727 1.0 
      0.50000000       0.50000000       0.31818182 1.0 
      0.50000000       0.50000000       0.36363636 1.0 
      0.50000000       0.50000000       0.40909091 1.0 
      0.50000000       0.50000000       0.45454545 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

