! 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)       =           11.3330723813713483
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.9403665340832457
         celldm(4)       =            0.3881112261931237
         celldm(5)       =            0.3881112261931237
         celldm(6)       =            0.5763730801464551
         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
290
      0.00000000       0.00000000       0.00000000 1.0 
      0.01515152       0.01515152       0.00000000 1.0 
      0.03030303       0.03030303       0.00000000 1.0 
      0.04545455       0.04545455       0.00000000 1.0 
      0.06060606       0.06060606       0.00000000 1.0 
      0.07575758       0.07575758       0.00000000 1.0 
      0.09090909       0.09090909       0.00000000 1.0 
      0.10606061       0.10606061      -0.00000000 1.0 
      0.12121212       0.12121212       0.00000000 1.0 
      0.13636364       0.13636364       0.00000000 1.0 
      0.15151515       0.15151515       0.00000000 1.0 
      0.16666667       0.16666667       0.00000000 1.0 
      0.18181818       0.18181818       0.00000000 1.0 
      0.19696970       0.19696970       0.00000000 1.0 
      0.21212121       0.21212121      -0.00000000 1.0 
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      0.25757576       0.25757576       0.00000000 1.0 
      0.27272727       0.27272727       0.00000000 1.0 
      0.28787879       0.28787879       0.00000000 1.0 
      0.30303030       0.30303030       0.00000000 1.0 
      0.31818182       0.31818182       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
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      0.42424242       0.42424242      -0.00000000 1.0 
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      0.56488815       0.56488815       0.15721947 1.0 
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      0.58651753       0.58651753       0.20962596 1.0 
      0.59372732       0.59372732       0.22709479 1.0 
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      0.07678969      -0.07678969       0.50000000 1.0 
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      0.01650063       0.01650063       0.50764056 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

