! Pwscf input file created with ciftopw.py 
! Compound: Ni4B3
&control
         calculation     = 'bands'
         prefix          = 'Ni4B3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            7.6282005149056857
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.9367448132929246
         celldm(4)       =            0.1832227740450951
         celldm(5)       =            0.1832227740450951
         celldm(6)       =            0.2686605085111691
         nat             =       14
         ntyp            =        2
         ecutwfc         =       43.00000000
         ecutrho         =      325.00000000
         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
Ni  58.6934 Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 B  10.8110 B.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
346
      0.00000000       0.00000000       0.00000000 1.0 
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      0.07954545      -0.00000000       0.07954545 1.0 
      0.06818182      -0.00000000       0.06818182 1.0 
      0.05681818      -0.00000000       0.05681818 1.0 
      0.04545455      -0.00000000       0.04545455 1.0 
      0.03409091      -0.00000000       0.03409091 1.0 
      0.02272727       0.00000000       0.02272727 1.0 
      0.01136364       0.00000000       0.01136364 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

