! Pwscf input file created with ciftopw.py 
! Compound: Fe11Mo6C5
&control
         calculation     = 'bands'
         prefix          = 'Fe11Mo6C5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.6192993207197119
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.9822029295636120
         celldm(4)       =            0.4083528650626092
         celldm(5)       =            0.4083528650626092
         celldm(6)       =            0.3235996819590495
         nat             =       22
         ntyp            =        3
         ecutwfc         =       50.00000000
         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
Mo  95.9400 Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Fe  55.8450 Fe.rel-pbe-n-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
240
      0.00000000       0.00000000       0.00000000 1.0 
      0.01470588       0.01470588       0.00000000 1.0 
      0.02941176       0.02941176       0.00000000 1.0 
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      0.07352941       0.07352941       0.00000000 1.0 
      0.08823529       0.08823529       0.00000000 1.0 
      0.10294118       0.10294118       0.00000000 1.0 
      0.11764706       0.11764706       0.00000000 1.0 
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      0.16176471       0.16176471       0.00000000 1.0 
      0.17647059       0.17647059       0.00000000 1.0 
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      0.20588235       0.20588235       0.00000000 1.0 
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      0.33823529       0.33823529       0.00000000 1.0 
      0.35294118       0.35294118       0.00000000 1.0 
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      0.60105558       0.60105558       0.24306694 1.0 
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      0.08489633       0.08489633       0.55145163 1.0 
      0.10187560       0.10187560       0.56174195 1.0 
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      0.16979266       0.16979266       0.60290325 1.0 
      0.18677193       0.18677193       0.61319358 1.0 
      0.20375120       0.20375120       0.62348390 1.0 
      0.22073046       0.22073046       0.63377423 1.0 
      0.23770973       0.23770973       0.64406455 1.0 
      0.25468899       0.25468899       0.65435488 1.0 
      0.27166826       0.27166826       0.66464520 1.0 
      0.28864753       0.28864753       0.67493553 1.0 
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      0.50000000       0.50000000       0.00000000 1.0 
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