! Pwscf input file created with pymatgen.py 
! Compound: K4CO4
&control
         calculation     = 'bands'
         prefix          = 'K4CO4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.3630442549581900
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.0350128737705753
         celldm(5)       =            0.0350128737705753
         celldm(6)       =            0.0350128737705753
         nat             =        9
         ntyp            =        3
         ecutwfc         =       47.00000000
         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 
 K  39.0983 K.rel-pbe-spn-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
264
      0.00000000       0.00000000       0.00000000 1.0 
      0.01562500      -0.00000000      -0.00000000 1.0 
      0.03125000      -0.00000000      -0.00000000 1.0 
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      0.06250000      -0.00000000      -0.00000000 1.0 
      0.07812500      -0.00000000      -0.00000000 1.0 
      0.09375000      -0.00000000      -0.00000000 1.0 
      0.10937500       0.00000000      -0.00000000 1.0 
      0.12500000      -0.00000000      -0.00000000 1.0 
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      0.41666667       0.41666667       0.41666667 1.0 
      0.40740741       0.40740741       0.40740741 1.0 
      0.39814815       0.39814815       0.39814815 1.0 
      0.38888889       0.38888889       0.38888889 1.0 
      0.37962963       0.37962963       0.37962963 1.0 
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      0.36111111       0.36111111       0.36111111 1.0 
      0.35185185       0.35185185       0.35185185 1.0 
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      0.33333333       0.33333333       0.33333333 1.0 
      0.32407407       0.32407407       0.32407407 1.0 
      0.31481481       0.31481481       0.31481481 1.0 
      0.30555556       0.30555556       0.30555556 1.0 
      0.29629630       0.29629630       0.29629630 1.0 
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      0.26851852       0.26851852       0.26851852 1.0 
      0.25925926       0.25925926       0.25925926 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.24074074       0.24074074       0.24074074 1.0 
      0.23148148       0.23148148       0.23148148 1.0 
      0.22222222       0.22222222       0.22222222 1.0 
      0.21296296       0.21296296       0.21296296 1.0 
      0.20370370       0.20370370       0.20370370 1.0 
      0.19444444       0.19444444       0.19444444 1.0 
      0.18518519       0.18518519       0.18518519 1.0 
      0.17592593       0.17592593       0.17592593 1.0 
      0.16666667       0.16666667       0.16666667 1.0 
      0.15740741       0.15740741       0.15740741 1.0 
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      0.12962963       0.12962963       0.12962963 1.0 
      0.12037037       0.12037037       0.12037037 1.0 
      0.11111111       0.11111111       0.11111111 1.0 
      0.10185185       0.10185185       0.10185185 1.0 
      0.09259259       0.09259259       0.09259259 1.0 
      0.08333333       0.08333333       0.08333333 1.0 
      0.07407407       0.07407407       0.07407407 1.0 
      0.06481481       0.06481481       0.06481481 1.0 
      0.05555556       0.05555556       0.05555556 1.0 
      0.04629630       0.04629630       0.04629630 1.0 
      0.03703704       0.03703704       0.03703704 1.0 
      0.02777778       0.02777778       0.02777778 1.0 
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      0.00925926       0.00925926       0.00925926 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.47289170       0.00000000      -0.47289170 1.0 
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      0.51636076       0.48363924       0.00000000 1.0 
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      0.50000000       0.50000000      -0.00000000 1.0 
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      0.50436287       0.50436287       0.12460759 1.0 
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      0.52815573       0.41615469       0.41615469 1.0 
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      0.52967766       0.43864954       0.43864954 1.0 
      0.53043863       0.44989697       0.44989697 1.0 
      0.53119959       0.46114439       0.46114439 1.0 
      0.53196056       0.47239181       0.47239181 1.0 
      0.53272152       0.48363924       0.48363924 1.0 

