! Pwscf input file created with pymatgen.py 
! Compound: Na4CO4
&control
         calculation     = 'bands'
         prefix          = 'Na4CO4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.2105003742670899
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.0366611502717546
         celldm(5)       =           -0.0366611502717546
         celldm(6)       =           -0.0366611502717546
         nat             =        9
         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-08 
         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 
 C  12.0107 C.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
394
      0.00000000       0.00000000       0.00000000 1.0 
      0.00777932      -0.00834971       0.00777932 1.0 
      0.01555863      -0.01669943       0.01555863 1.0 
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      0.07779317      -0.08349715       0.07779317 1.0 
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      0.13224840      -0.14194515       0.13224840 1.0 
      0.14002771      -0.15029487       0.14002771 1.0 
      0.14780703      -0.15864458       0.14780703 1.0 
      0.15558635      -0.16699430       0.15558635 1.0 
      0.16336567      -0.17534401       0.16336567 1.0 
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      0.19448294      -0.20874287       0.19448294 1.0 
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      0.31117270      -0.33398859       0.31117270 1.0 
      0.31895201      -0.34233831       0.31895201 1.0 
      0.32673133      -0.35068802       0.32673133 1.0 
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      0.47726559       0.12012273       0.47726559 1.0 
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