! Pwscf input file created with pymatgen.py 
! Compound: GeIr
&control
         calculation     = 'bands'
         prefix          = 'GeIr'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            6.5951437016100005
         celldm(2)       =            1.6077363896848136
         celldm(3)       =            1.7997134670487105
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =        8
         ntyp            =        2
         ecutwfc         =       30.00000000
         ecutrho         =      306.00000000
         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
Ge  72.6400 Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ir 192.2170 Ir.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
412
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      0.50000000       0.00000000       0.13461538 1.0 
      0.50000000      -0.00000000       0.11538462 1.0 
      0.50000000      -0.00000000       0.09615385 1.0 
      0.50000000      -0.00000000       0.07692308 1.0 
      0.50000000      -0.00000000       0.05769231 1.0 
      0.50000000       0.00000000       0.03846154 1.0 
      0.50000000      -0.00000000       0.01923077 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.01923077 1.0 
      0.50000000       0.50000000       0.03846154 1.0 
      0.50000000       0.50000000       0.05769231 1.0 
      0.50000000       0.50000000       0.07692308 1.0 
      0.50000000       0.50000000       0.09615385 1.0 
      0.50000000       0.50000000       0.11538462 1.0 
      0.50000000       0.50000000       0.13461538 1.0 
      0.50000000       0.50000000       0.15384615 1.0 
      0.50000000       0.50000000       0.17307692 1.0 
      0.50000000       0.50000000       0.19230769 1.0 
      0.50000000       0.50000000       0.21153846 1.0 
      0.50000000       0.50000000       0.23076923 1.0 
      0.50000000       0.50000000       0.25000000 1.0 
      0.50000000       0.50000000       0.26923077 1.0 
      0.50000000       0.50000000       0.28846154 1.0 
      0.50000000       0.50000000       0.30769231 1.0 
      0.50000000       0.50000000       0.32692308 1.0 
      0.50000000       0.50000000       0.34615385 1.0 
      0.50000000       0.50000000       0.36538462 1.0 
      0.50000000       0.50000000       0.38461538 1.0 
      0.50000000       0.50000000       0.40384615 1.0 
      0.50000000       0.50000000       0.42307692 1.0 
      0.50000000       0.50000000       0.44230769 1.0 
      0.50000000       0.50000000       0.46153846 1.0 
      0.50000000       0.50000000       0.48076923 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

