! Pwscf input file created with pymatgen.py 
! Compound: Fe3Se4
&control
         calculation     = 'bands'
         prefix          = 'Fe3Se4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.4608142541234699
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.9414648754458320
         celldm(4)       =            0.4437591714526950
         celldm(5)       =            0.4437591714526950
         celldm(6)       =            0.8558128077253299
         nat             =        7
         ntyp            =        2
         ecutwfc         =       46.00000000
         ecutrho         =      238.00000000
         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
Fe  55.8450 Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
367
      0.00000000       0.00000000       0.00000000 1.0 
      0.01785714       0.01785714      -0.00000000 1.0 
      0.03571429       0.03571429      -0.00000000 1.0 
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      0.07142857       0.07142857      -0.00000000 1.0 
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      0.12500000       0.12500000      -0.00000000 1.0 
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      0.16071429       0.16071429       0.00000000 1.0 
      0.17857143       0.17857143       0.00000000 1.0 
      0.19642857       0.19642857       0.00000000 1.0 
      0.21428571       0.21428571      -0.00000000 1.0 
      0.23214286       0.23214286       0.00000000 1.0 
      0.25000000       0.25000000      -0.00000000 1.0 
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      0.37500000       0.37500000       0.00000000 1.0 
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      0.50913708       0.50913708       0.01938493 1.0 
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      0.57309664       0.57309664       0.15507942 1.0 
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      0.62791911       0.62791911       0.27138899 1.0 
      0.63705619       0.63705619       0.29077391 1.0 
      0.64619327       0.64619327       0.31015884 1.0 
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      0.57195450       0.57195450       0.43390631 1.0 
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      0.22115385       0.00000000       0.22115385 1.0 
      0.21153846       0.00000000       0.21153846 1.0 
      0.20192308       0.00000000       0.20192308 1.0 
      0.19230769       0.00000000       0.19230769 1.0 
      0.18269231       0.00000000       0.18269231 1.0 
      0.17307692       0.00000000       0.17307692 1.0 
      0.16346154      -0.00000000       0.16346154 1.0 
      0.15384615       0.00000000       0.15384615 1.0 
      0.14423077       0.00000000       0.14423077 1.0 
      0.13461538      -0.00000000       0.13461538 1.0 
      0.12500000       0.00000000       0.12500000 1.0 
      0.11538462       0.00000000       0.11538462 1.0 
      0.10576923      -0.00000000       0.10576923 1.0 
      0.09615385       0.00000000       0.09615385 1.0 
      0.08653846      -0.00000000       0.08653846 1.0 
      0.07692308      -0.00000000       0.07692308 1.0 
      0.06730769       0.00000000       0.06730769 1.0 
      0.05769231       0.00000000       0.05769231 1.0 
      0.04807692      -0.00000000       0.04807692 1.0 
      0.03846154       0.00000000       0.03846154 1.0 
      0.02884615      -0.00000000       0.02884615 1.0 
      0.01923077      -0.00000000       0.01923077 1.0 
      0.00961538      -0.00000000       0.00961538 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

