! 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)       =            8.6794736729572204
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.0910217441957221
         celldm(5)       =            0.0910217441957221
         celldm(6)       =            0.0910217441957221
         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
280
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      0.30000000       0.30000000       0.30000000 1.0 
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      0.20000000       0.20000000       0.20000000 1.0 
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      0.18181818       0.18181818       0.18181818 1.0 
      0.17272727       0.17272727       0.17272727 1.0 
      0.16363636       0.16363636       0.16363636 1.0 
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      0.10909091       0.10909091       0.10909091 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
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      0.57521293       0.45076563       0.45076563 1.0 
      0.57700372       0.46149814       0.46149814 1.0 

