! Pwscf input file created with ciftopw.py 
! Compound: K2CO3
&control
         calculation     = 'bands'
         prefix          = 'K2CO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           18.5193146922000018
         celldm(2)       =            0.5755102040816326
         celldm(3)       =            0.7020408163265306
         celldm(4)       =            0.1529858362840379
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       24
         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-05 
         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
212
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02083333 1.0 
      0.00000000       0.00000000       0.04166667 1.0 
      0.00000000       0.00000000       0.06250000 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000       0.00000000       0.10416667 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.14583333 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.20833333 1.0 
      0.00000000       0.00000000       0.22916667 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27083333 1.0 
      0.00000000       0.00000000       0.29166667 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.35416667 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.39583333 1.0 
      0.00000000       0.00000000       0.41666667 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000       0.00000000       0.45833333 1.0 
      0.00000000       0.00000000       0.47916667 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01791094       0.50334256 1.0 
      0.00000000       0.03582189       0.50668512 1.0 
      0.00000000       0.05373283       0.51002768 1.0 
      0.00000000       0.07164377       0.51337023 1.0 
      0.00000000       0.08955472       0.51671279 1.0 
      0.00000000       0.10746566       0.52005535 1.0 
      0.00000000       0.12537660       0.52339791 1.0 
      0.00000000       0.14328755       0.52674047 1.0 
      0.00000000       0.16119849       0.53008303 1.0 
      0.00000000       0.17910943       0.53342559 1.0 
      0.00000000       0.19702038       0.53676814 1.0 
      0.00000000       0.21493132       0.54011070 1.0 
      0.00000000       0.23284227       0.54345326 1.0 
      0.00000000       0.25075321       0.54679582 1.0 
      0.00000000       0.26866415       0.55013838 1.0 
      0.00000000       0.28657510       0.55348094 1.0 
      0.00000000       0.30448604       0.55682350 1.0 
      0.00000000       0.32239698       0.56016605 1.0 
      0.00000000       0.34030793       0.56350861 1.0 
      0.00000000       0.35821887       0.56685117 1.0 
      0.00000000       0.37612981       0.57019373 1.0 
      0.00000000       0.39404076       0.57353629 1.0 
      0.00000000       0.41195170       0.57687885 1.0 
      0.00000000       0.42986264       0.58022141 1.0 
      0.00000000       0.44777359       0.58356396 1.0 
      0.00000000       0.44777359       0.58356396 1.0 
      0.00000000       0.45647799       0.56963664 1.0 
      0.00000000       0.46518239       0.55570931 1.0 
      0.00000000       0.47388679       0.54178198 1.0 
      0.00000000       0.48259120       0.52785465 1.0 
      0.00000000       0.49129560       0.51392733 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02941176       0.50000000       0.50000000 1.0 
      0.05882353       0.50000000       0.50000000 1.0 
      0.08823529       0.50000000       0.50000000 1.0 
      0.11764706       0.50000000       0.50000000 1.0 
      0.14705882       0.50000000       0.50000000 1.0 
      0.17647059       0.50000000       0.50000000 1.0 
      0.20588235       0.50000000       0.50000000 1.0 
      0.23529412       0.50000000       0.50000000 1.0 
      0.26470588       0.50000000       0.50000000 1.0 
      0.29411765       0.50000000       0.50000000 1.0 
      0.32352941       0.50000000       0.50000000 1.0 
      0.35294118       0.50000000       0.50000000 1.0 
      0.38235294       0.50000000       0.50000000 1.0 
      0.41176471       0.50000000       0.50000000 1.0 
      0.44117647       0.50000000       0.50000000 1.0 
      0.47058824       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50870440       0.48607267 1.0 
      0.50000000       0.51740880       0.47214535 1.0 
      0.50000000       0.52611321       0.45821802 1.0 
      0.50000000       0.53481761       0.44429069 1.0 
      0.50000000       0.54352201       0.43036336 1.0 
      0.50000000       0.55222641       0.41643604 1.0 
      0.50000000       0.55222641       0.41643604 1.0 
      0.50000000       0.54961509       0.39561423 1.0 
      0.50000000       0.54700377       0.37479243 1.0 
      0.50000000       0.54439245       0.35397063 1.0 
      0.50000000       0.54178113       0.33314883 1.0 
      0.50000000       0.53916981       0.31232703 1.0 
      0.50000000       0.53655849       0.29150523 1.0 
      0.50000000       0.53394717       0.27068342 1.0 
      0.50000000       0.53133585       0.24986162 1.0 
      0.50000000       0.52872453       0.22903982 1.0 
      0.50000000       0.52611321       0.20821802 1.0 
      0.50000000       0.52350189       0.18739622 1.0 
      0.50000000       0.52089057       0.16657441 1.0 
      0.50000000       0.51827924       0.14575261 1.0 
      0.50000000       0.51566792       0.12493081 1.0 
      0.50000000       0.51305660       0.10410901 1.0 
      0.50000000       0.51044528       0.08328721 1.0 
      0.50000000       0.50783396       0.06246541 1.0 
      0.50000000       0.50522264       0.04164360 1.0 
      0.50000000       0.50261132       0.02082180 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.47058824       0.50000000      -0.00000000 1.0 
      0.44117647       0.50000000      -0.00000000 1.0 
      0.41176471       0.50000000      -0.00000000 1.0 
      0.38235294       0.50000000      -0.00000000 1.0 
      0.35294118       0.50000000      -0.00000000 1.0 
      0.32352941       0.50000000      -0.00000000 1.0 
      0.29411765       0.50000000      -0.00000000 1.0 
      0.26470588       0.50000000      -0.00000000 1.0 
      0.23529412       0.50000000      -0.00000000 1.0 
      0.20588235       0.50000000      -0.00000000 1.0 
      0.17647059       0.50000000      -0.00000000 1.0 
      0.14705882       0.50000000      -0.00000000 1.0 
      0.11764706       0.50000000      -0.00000000 1.0 
      0.08823529       0.50000000      -0.00000000 1.0 
      0.05882353       0.50000000      -0.00000000 1.0 
      0.02941176       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50261132       0.02082180 1.0 
      0.00000000       0.50522264       0.04164360 1.0 
      0.00000000       0.50783396       0.06246541 1.0 
      0.00000000       0.51044528       0.08328721 1.0 
      0.00000000       0.51305660       0.10410901 1.0 
      0.00000000       0.51566792       0.12493081 1.0 
      0.00000000       0.51827924       0.14575261 1.0 
      0.00000000       0.52089057       0.16657441 1.0 
      0.00000000       0.52350189       0.18739622 1.0 
      0.00000000       0.52611321       0.20821802 1.0 
      0.00000000       0.52872453       0.22903982 1.0 
      0.00000000       0.53133585       0.24986162 1.0 
      0.00000000       0.53394717       0.27068342 1.0 
      0.00000000       0.53655849       0.29150523 1.0 
      0.00000000       0.53916981       0.31232703 1.0 
      0.00000000       0.54178113       0.33314883 1.0 
      0.00000000       0.54439245       0.35397063 1.0 
      0.00000000       0.54700377       0.37479243 1.0 
      0.00000000       0.54961509       0.39561423 1.0 
      0.00000000       0.55222641       0.41643604 1.0 
      0.50000000       0.44777359       0.58356396 1.0 
      0.50000000       0.42986264       0.58022141 1.0 
      0.50000000       0.41195170       0.57687885 1.0 
      0.50000000       0.39404076       0.57353629 1.0 
      0.50000000       0.37612981       0.57019373 1.0 
      0.50000000       0.35821887       0.56685117 1.0 
      0.50000000       0.34030793       0.56350861 1.0 
      0.50000000       0.32239698       0.56016605 1.0 
      0.50000000       0.30448604       0.55682350 1.0 
      0.50000000       0.28657510       0.55348094 1.0 
      0.50000000       0.26866415       0.55013838 1.0 
      0.50000000       0.25075321       0.54679582 1.0 
      0.50000000       0.23284227       0.54345326 1.0 
      0.50000000       0.21493132       0.54011070 1.0 
      0.50000000       0.19702038       0.53676814 1.0 
      0.50000000       0.17910943       0.53342559 1.0 
      0.50000000       0.16119849       0.53008303 1.0 
      0.50000000       0.14328755       0.52674047 1.0 
      0.50000000       0.12537660       0.52339791 1.0 
      0.50000000       0.10746566       0.52005535 1.0 
      0.50000000       0.08955472       0.51671279 1.0 
      0.50000000       0.07164377       0.51337023 1.0 
      0.50000000       0.05373283       0.51002768 1.0 
      0.50000000       0.03582189       0.50668512 1.0 
      0.50000000       0.01791094       0.50334256 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.47916667 1.0 
      0.50000000       0.00000000       0.45833333 1.0 
      0.50000000       0.00000000       0.43750000 1.0 
      0.50000000       0.00000000       0.41666667 1.0 
      0.50000000       0.00000000       0.39583333 1.0 
      0.50000000       0.00000000       0.37500000 1.0 
      0.50000000       0.00000000       0.35416667 1.0 
      0.50000000       0.00000000       0.33333333 1.0 
      0.50000000       0.00000000       0.31250000 1.0 
      0.50000000       0.00000000       0.29166667 1.0 
      0.50000000       0.00000000       0.27083333 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.22916667 1.0 
      0.50000000       0.00000000       0.20833333 1.0 
      0.50000000       0.00000000       0.18750000 1.0 
      0.50000000       0.00000000       0.16666667 1.0 
      0.50000000       0.00000000       0.14583333 1.0 
      0.50000000       0.00000000       0.12500000 1.0 
      0.50000000       0.00000000       0.10416667 1.0 
      0.50000000       0.00000000       0.08333333 1.0 
      0.50000000       0.00000000       0.06250000 1.0 
      0.50000000       0.00000000       0.04166667 1.0 
      0.50000000       0.00000000       0.02083333 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02941176       0.00000000       0.50000000 1.0 
      0.05882353       0.00000000       0.50000000 1.0 
      0.08823529       0.00000000       0.50000000 1.0 
      0.11764706       0.00000000       0.50000000 1.0 
      0.14705882       0.00000000       0.50000000 1.0 
      0.17647059       0.00000000       0.50000000 1.0 
      0.20588235       0.00000000       0.50000000 1.0 
      0.23529412       0.00000000       0.50000000 1.0 
      0.26470588       0.00000000       0.50000000 1.0 
      0.29411765       0.00000000       0.50000000 1.0 
      0.32352941       0.00000000       0.50000000 1.0 
      0.35294118       0.00000000       0.50000000 1.0 
      0.38235294       0.00000000       0.50000000 1.0 
      0.41176471       0.00000000       0.50000000 1.0 
      0.44117647       0.00000000       0.50000000 1.0 
      0.47058824       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

