! Pwscf input file created with ciftopw.py 
! Compound: Mg2BBrN2
&control
         calculation     = 'bands'
         prefix          = 'Mg2BBrN2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.6721548539240523
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.1466390604207666
         celldm(4)       =            0.2684827448140470
         celldm(5)       =            0.2684827448140470
         celldm(6)       =            0.3127772999333172
         nat             =       12
         ntyp            =        4
         ecutwfc         =       59.00000000
         ecutrho         =      386.00000000
         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
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Mg  24.3050 Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
 B  10.8110 B.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 N  14.0067 N.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
268
      0.00000000       0.00000000       0.00000000 1.0 
      0.01351351       0.01351351       0.00000000 1.0 
      0.02702703       0.02702703       0.00000000 1.0 
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      0.09459459       0.09459459      -0.00000000 1.0 
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