! Pwscf input file created with ciftopw.py 
! Compound: KFeCl4
&control
         calculation     = 'bands'
         prefix          = 'KFeCl4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           19.6474811076330020
         celldm(2)       =            0.7016447052034239
         celldm(3)       =            0.8958353371164758
         celldm(4)       =            0.0685376675848221
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       24
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      278.00000000
         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
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Fe  55.8450 Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
171
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02941176 1.0 
      0.00000000       0.00000000       0.05882353 1.0 
      0.00000000       0.00000000       0.08823529 1.0 
      0.00000000       0.00000000       0.11764706 1.0 
      0.00000000       0.00000000       0.14705882 1.0 
      0.00000000       0.00000000       0.17647059 1.0 
      0.00000000       0.00000000       0.20588235 1.0 
      0.00000000       0.00000000       0.23529412 1.0 
      0.00000000       0.00000000       0.26470588 1.0 
      0.00000000       0.00000000       0.29411765 1.0 
      0.00000000       0.00000000       0.32352941 1.0 
      0.00000000       0.00000000       0.35294118 1.0 
      0.00000000       0.00000000       0.38235294 1.0 
      0.00000000       0.00000000       0.41176471 1.0 
      0.00000000       0.00000000       0.44117647 1.0 
      0.00000000       0.00000000       0.47058824 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02263775       0.50198095 1.0 
      0.00000000       0.04527550       0.50396190 1.0 
      0.00000000       0.06791325       0.50594285 1.0 
      0.00000000       0.09055100       0.50792380 1.0 
      0.00000000       0.11318875       0.50990475 1.0 
      0.00000000       0.13582650       0.51188570 1.0 
      0.00000000       0.15846425       0.51386665 1.0 
      0.00000000       0.18110200       0.51584760 1.0 
      0.00000000       0.20373975       0.51782855 1.0 
      0.00000000       0.22637750       0.51980950 1.0 
      0.00000000       0.24901525       0.52179045 1.0 
      0.00000000       0.27165300       0.52377140 1.0 
      0.00000000       0.29429075       0.52575235 1.0 
      0.00000000       0.31692850       0.52773330 1.0 
      0.00000000       0.33956625       0.52971425 1.0 
      0.00000000       0.36220400       0.53169520 1.0 
      0.00000000       0.38484175       0.53367615 1.0 
      0.00000000       0.40747950       0.53565710 1.0 
      0.00000000       0.43011725       0.53763805 1.0 
      0.00000000       0.45275500       0.53961900 1.0 
      0.00000000       0.47539275       0.54159995 1.0 
      0.00000000       0.47539275       0.54159995 1.0 
      0.00000000       0.48769638       0.52079998 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.03125000       0.50000000       0.50000000 1.0 
      0.06250000       0.50000000       0.50000000 1.0 
      0.09375000       0.50000000       0.50000000 1.0 
      0.12500000       0.50000000       0.50000000 1.0 
      0.15625000       0.50000000       0.50000000 1.0 
      0.18750000       0.50000000       0.50000000 1.0 
      0.21875000       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.28125000       0.50000000       0.50000000 1.0 
      0.31250000       0.50000000       0.50000000 1.0 
      0.34375000       0.50000000       0.50000000 1.0 
      0.37500000       0.50000000       0.50000000 1.0 
      0.40625000       0.50000000       0.50000000 1.0 
      0.43750000       0.50000000       0.50000000 1.0 
      0.46875000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.51230362       0.47920002 1.0 
      0.50000000       0.52460725       0.45840005 1.0 
      0.50000000       0.52460725       0.45840005 1.0 
      0.50000000       0.52306929       0.42975005 1.0 
      0.50000000       0.52153134       0.40110004 1.0 
      0.50000000       0.51999339       0.37245004 1.0 
      0.50000000       0.51845544       0.34380004 1.0 
      0.50000000       0.51691748       0.31515003 1.0 
      0.50000000       0.51537953       0.28650003 1.0 
      0.50000000       0.51384158       0.25785003 1.0 
      0.50000000       0.51230362       0.22920002 1.0 
      0.50000000       0.51076567       0.20055002 1.0 
      0.50000000       0.50922772       0.17190002 1.0 
      0.50000000       0.50768976       0.14325002 1.0 
      0.50000000       0.50615181       0.11460001 1.0 
      0.50000000       0.50461386       0.08595001 1.0 
      0.50000000       0.50307591       0.05730001 1.0 
      0.50000000       0.50153795       0.02865000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.46875000       0.50000000       0.00000000 1.0 
      0.43750000       0.50000000       0.00000000 1.0 
      0.40625000       0.50000000       0.00000000 1.0 
      0.37500000       0.50000000       0.00000000 1.0 
      0.34375000       0.50000000       0.00000000 1.0 
      0.31250000       0.50000000       0.00000000 1.0 
      0.28125000       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.21875000       0.50000000       0.00000000 1.0 
      0.18750000       0.50000000       0.00000000 1.0 
      0.15625000       0.50000000       0.00000000 1.0 
      0.12500000       0.50000000       0.00000000 1.0 
      0.09375000       0.50000000       0.00000000 1.0 
      0.06250000       0.50000000       0.00000000 1.0 
      0.03125000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50153795       0.02865000 1.0 
      0.00000000       0.50307591       0.05730001 1.0 
      0.00000000       0.50461386       0.08595001 1.0 
      0.00000000       0.50615181       0.11460001 1.0 
      0.00000000       0.50768976       0.14325002 1.0 
      0.00000000       0.50922772       0.17190002 1.0 
      0.00000000       0.51076567       0.20055002 1.0 
      0.00000000       0.51230362       0.22920002 1.0 
      0.00000000       0.51384158       0.25785003 1.0 
      0.00000000       0.51537953       0.28650003 1.0 
      0.00000000       0.51691748       0.31515003 1.0 
      0.00000000       0.51845544       0.34380004 1.0 
      0.00000000       0.51999339       0.37245004 1.0 
      0.00000000       0.52153134       0.40110004 1.0 
      0.00000000       0.52306929       0.42975005 1.0 
      0.00000000       0.52460725       0.45840005 1.0 
      0.50000000       0.47539275       0.54159995 1.0 
      0.50000000       0.45275500       0.53961900 1.0 
      0.50000000       0.43011725       0.53763805 1.0 
      0.50000000       0.40747950       0.53565710 1.0 
      0.50000000       0.38484175       0.53367615 1.0 
      0.50000000       0.36220400       0.53169520 1.0 
      0.50000000       0.33956625       0.52971425 1.0 
      0.50000000       0.31692850       0.52773330 1.0 
      0.50000000       0.29429075       0.52575235 1.0 
      0.50000000       0.27165300       0.52377140 1.0 
      0.50000000       0.24901525       0.52179045 1.0 
      0.50000000       0.22637750       0.51980950 1.0 
      0.50000000       0.20373975       0.51782855 1.0 
      0.50000000       0.18110200       0.51584760 1.0 
      0.50000000       0.15846425       0.51386665 1.0 
      0.50000000       0.13582650       0.51188570 1.0 
      0.50000000       0.11318875       0.50990475 1.0 
      0.50000000       0.09055100       0.50792380 1.0 
      0.50000000       0.06791325       0.50594285 1.0 
      0.50000000       0.04527550       0.50396190 1.0 
      0.50000000       0.02263775       0.50198095 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.47058824 1.0 
      0.50000000       0.00000000       0.44117647 1.0 
      0.50000000       0.00000000       0.41176471 1.0 
      0.50000000       0.00000000       0.38235294 1.0 
      0.50000000       0.00000000       0.35294118 1.0 
      0.50000000       0.00000000       0.32352941 1.0 
      0.50000000       0.00000000       0.29411765 1.0 
      0.50000000       0.00000000       0.26470588 1.0 
      0.50000000       0.00000000       0.23529412 1.0 
      0.50000000       0.00000000       0.20588235 1.0 
      0.50000000       0.00000000       0.17647059 1.0 
      0.50000000       0.00000000       0.14705882 1.0 
      0.50000000       0.00000000       0.11764706 1.0 
      0.50000000       0.00000000       0.08823529 1.0 
      0.50000000       0.00000000       0.05882353 1.0 
      0.50000000       0.00000000       0.02941176 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.03125000       0.00000000       0.50000000 1.0 
      0.06250000       0.00000000       0.50000000 1.0 
      0.09375000       0.00000000       0.50000000 1.0 
      0.12500000       0.00000000       0.50000000 1.0 
      0.15625000       0.00000000       0.50000000 1.0 
      0.18750000       0.00000000       0.50000000 1.0 
      0.21875000       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.28125000       0.00000000       0.50000000 1.0 
      0.31250000       0.00000000       0.50000000 1.0 
      0.34375000       0.00000000       0.50000000 1.0 
      0.37500000       0.00000000       0.50000000 1.0 
      0.40625000       0.00000000       0.50000000 1.0 
      0.43750000       0.00000000       0.50000000 1.0 
      0.46875000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

