! Pwscf input file created with ciftopw.py 
! Compound: MgCN2
&control
         calculation     = 'bands'
         prefix          = 'MgCN2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.5893426515612497
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.7919402091724963
         celldm(5)       =            0.7919402091724963
         celldm(6)       =            0.7919402091724962
         nat             =        4
         ntyp            =        3
         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
Mg  24.3050 Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
 C  12.0107 C.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
380
      0.00000000       0.00000000       0.00000000 1.0 
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      0.54507244       0.54507244       0.40985512 1.0 
      0.54206761       0.54206761       0.41586478 1.0 
      0.53906278       0.53906278       0.42187444 1.0 
      0.53605795       0.53605795       0.42788410 1.0 
      0.53305312       0.53305312       0.43389375 1.0 
      0.53004829       0.53004829       0.43990341 1.0 
      0.52704346       0.52704346       0.44591307 1.0 
      0.52403863       0.52403863       0.45192273 1.0 
      0.52103381       0.52103381       0.45793239 1.0 
      0.51802898       0.51802898       0.46394205 1.0 
      0.51502415       0.51502415       0.46995171 1.0 
      0.51201932       0.51201932       0.47596137 1.0 
      0.50901449       0.50901449       0.48197102 1.0 
      0.50600966       0.50600966       0.48798068 1.0 
      0.50300483       0.50300483       0.49399034 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.51332576       0.01507625       0.01507625 1.0 
      0.52665153       0.03015250       0.03015250 1.0 
      0.53997729       0.04522874       0.04522874 1.0 
      0.55330306       0.06030499       0.06030499 1.0 
      0.56662882       0.07538124       0.07538124 1.0 
      0.57995459       0.09045749       0.09045749 1.0 
      0.59328035       0.10553374       0.10553374 1.0 
      0.60660612       0.12060998       0.12060998 1.0 
      0.61993188       0.13568623       0.13568623 1.0 
      0.63325765       0.15076248       0.15076248 1.0 
      0.64658341       0.16583873       0.16583873 1.0 
      0.65990918       0.18091498       0.18091498 1.0 
      0.67323494       0.19599122       0.19599122 1.0 
      0.68656071       0.21106747       0.21106747 1.0 
      0.69988647       0.22614372       0.22614372 1.0 
      0.71321224       0.24121997       0.24121997 1.0 
      0.72653800       0.25629622       0.25629622 1.0 
      0.73986377       0.27137246       0.27137246 1.0 
      0.75318953       0.28644871       0.28644871 1.0 
      0.76651530       0.30152496       0.30152496 1.0 
      0.77984106       0.31660121       0.31660121 1.0 
      0.79316683       0.33167746       0.33167746 1.0 
      0.80649259       0.34675370       0.34675370 1.0 

