! Pwscf input file created with ciftopw.py 
! Compound: Mg2NiH2
&control
         calculation     = 'bands'
         prefix          = 'Mg2NiH2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.6736961844645890
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.4159279897891770
         celldm(4)       =            0.0387689175519235
         celldm(5)       =            0.0387689175519235
         celldm(6)       =            0.0278814909217338
         nat             =       10
         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 
Ni  58.6934 Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 H   1.0079 H.rel-pbe-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
307
      0.00000000       0.00000000       0.00000000 1.0 
      0.01041667       0.01041667       0.00000000 1.0 
      0.02083333       0.02083333       0.00000000 1.0 
      0.03125000       0.03125000       0.00000000 1.0 
      0.04166667       0.04166667       0.00000000 1.0 
      0.05208333       0.05208333       0.00000000 1.0 
      0.06250000       0.06250000       0.00000000 1.0 
      0.07291667       0.07291667       0.00000000 1.0 
      0.08333333       0.08333333       0.00000000 1.0 
      0.09375000       0.09375000       0.00000000 1.0 
      0.10416667       0.10416667       0.00000000 1.0 
      0.11458333       0.11458333       0.00000000 1.0 
      0.12500000       0.12500000       0.00000000 1.0 
      0.13541667       0.13541667       0.00000000 1.0 
      0.14583333       0.14583333       0.00000000 1.0 
      0.15625000       0.15625000       0.00000000 1.0 
      0.16666667       0.16666667       0.00000000 1.0 
      0.17708333       0.17708333       0.00000000 1.0 
      0.18750000       0.18750000       0.00000000 1.0 
      0.19791667       0.19791667       0.00000000 1.0 
      0.20833333       0.20833333       0.00000000 1.0 
      0.21875000       0.21875000       0.00000000 1.0 
      0.22916667       0.22916667       0.00000000 1.0 
      0.23958333       0.23958333       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.26041667       0.26041667       0.00000000 1.0 
      0.27083333       0.27083333       0.00000000 1.0 
      0.28125000       0.28125000       0.00000000 1.0 
      0.29166667       0.29166667       0.00000000 1.0 
      0.30208333       0.30208333       0.00000000 1.0 
      0.31250000       0.31250000       0.00000000 1.0 
      0.32291667       0.32291667       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
      0.34375000       0.34375000       0.00000000 1.0 
      0.35416667       0.35416667       0.00000000 1.0 
      0.36458333       0.36458333       0.00000000 1.0 
      0.37500000       0.37500000       0.00000000 1.0 
      0.38541667       0.38541667       0.00000000 1.0 
      0.39583333       0.39583333       0.00000000 1.0 
      0.40625000       0.40625000       0.00000000 1.0 
      0.41666667       0.41666667       0.00000000 1.0 
      0.42708333       0.42708333       0.00000000 1.0 
      0.43750000       0.43750000       0.00000000 1.0 
      0.44791667       0.44791667       0.00000000 1.0 
      0.45833333       0.45833333       0.00000000 1.0 
      0.46875000       0.46875000       0.00000000 1.0 
      0.47916667       0.47916667       0.00000000 1.0 
      0.48958333       0.48958333       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50055745       0.50055745       0.02035931 1.0 
      0.50111490       0.50111490       0.04071863 1.0 
      0.50167235       0.50167235       0.06107794 1.0 
      0.50222980       0.50222980       0.08143726 1.0 
      0.50278725       0.50278725       0.10179657 1.0 
      0.50334470       0.50334470       0.12215589 1.0 
      0.50390215       0.50390215       0.14251520 1.0 
      0.50445960       0.50445960       0.16287452 1.0 
      0.50501705       0.50501705       0.18323383 1.0 
      0.50557450       0.50557450       0.20359315 1.0 
      0.50613195       0.50613195       0.22395246 1.0 
      0.50668940       0.50668940       0.24431178 1.0 
      0.50724685       0.50724685       0.26467109 1.0 
      0.50780430       0.50780430       0.28503040 1.0 
      0.50836175       0.50836175       0.30538972 1.0 
      0.50891919       0.50891919       0.32574903 1.0 
      0.50947664       0.50947664       0.34610835 1.0 
      0.51003409       0.51003409       0.36646766 1.0 
      0.51059154       0.51059154       0.38682698 1.0 
      0.51114899       0.51114899       0.40718629 1.0 
      0.51170644       0.51170644       0.42754561 1.0 
      0.51226389       0.51226389       0.44790492 1.0 
      0.51226389       0.51226389       0.44790492 1.0 
      0.50817593       0.50817593       0.46526995 1.0 
      0.50408796       0.50408796       0.48263497 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.50861822       0.49138178       0.50000000 1.0 
      0.51723644       0.48276356       0.50000000 1.0 
      0.52585467       0.47414533       0.50000000 1.0 
      0.47414533      -0.47414533       0.50000000 1.0 
      0.46405714      -0.46405714       0.50000000 1.0 
      0.45396894      -0.45396894       0.50000000 1.0 
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      0.42370434      -0.42370434       0.50000000 1.0 
      0.41361614      -0.41361614       0.50000000 1.0 
      0.40352794      -0.40352794       0.50000000 1.0 
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      0.38335155      -0.38335155       0.50000000 1.0 
      0.37326335      -0.37326335       0.50000000 1.0 
      0.36317515      -0.36317515       0.50000000 1.0 
      0.35308695      -0.35308695       0.50000000 1.0 
      0.34299875      -0.34299875       0.50000000 1.0 
      0.33291055      -0.33291055       0.50000000 1.0 
      0.32282236      -0.32282236       0.50000000 1.0 
      0.31273416      -0.31273416       0.50000000 1.0 
      0.30264596      -0.30264596       0.50000000 1.0 
      0.29255776      -0.29255776       0.50000000 1.0 
      0.28246956      -0.28246956       0.50000000 1.0 
      0.27238136      -0.27238136       0.50000000 1.0 
      0.26229316      -0.26229316       0.50000000 1.0 
      0.25220497      -0.25220497       0.50000000 1.0 
      0.24211677      -0.24211677       0.50000000 1.0 
      0.23202857      -0.23202857       0.50000000 1.0 
      0.22194037      -0.22194037       0.50000000 1.0 
      0.21185217      -0.21185217       0.50000000 1.0 
      0.20176397      -0.20176397       0.50000000 1.0 
      0.19167577      -0.19167577       0.50000000 1.0 
      0.18158758      -0.18158758       0.50000000 1.0 
      0.17149938      -0.17149938       0.50000000 1.0 
      0.16141118      -0.16141118       0.50000000 1.0 
      0.15132298      -0.15132298       0.50000000 1.0 
      0.14123478      -0.14123478       0.50000000 1.0 
      0.13114658      -0.13114658       0.50000000 1.0 
      0.12105838      -0.12105838       0.50000000 1.0 
      0.11097018      -0.11097018       0.50000000 1.0 
      0.10088199      -0.10088199       0.50000000 1.0 
      0.09079379      -0.09079379       0.50000000 1.0 
      0.08070559      -0.08070559       0.50000000 1.0 
      0.07061739      -0.07061739       0.50000000 1.0 
      0.06052919      -0.06052919       0.50000000 1.0 
      0.05044099      -0.05044099       0.50000000 1.0 
      0.04035279      -0.04035279       0.50000000 1.0 
      0.03026460      -0.03026460       0.50000000 1.0 
      0.02017640      -0.02017640       0.50000000 1.0 
      0.01008820      -0.01008820       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01037736       0.01037736       0.50110841 1.0 
      0.02075473       0.02075473       0.50221681 1.0 
      0.03113209       0.03113209       0.50332522 1.0 
      0.04150946       0.04150946       0.50443362 1.0 
      0.05188682       0.05188682       0.50554203 1.0 
      0.06226418       0.06226418       0.50665044 1.0 
      0.07264155       0.07264155       0.50775884 1.0 
      0.08301891       0.08301891       0.50886725 1.0 
      0.09339628       0.09339628       0.50997565 1.0 
      0.10377364       0.10377364       0.51108406 1.0 
      0.11415100       0.11415100       0.51219247 1.0 
      0.12452837       0.12452837       0.51330087 1.0 
      0.13490573       0.13490573       0.51440928 1.0 
      0.14528310       0.14528310       0.51551768 1.0 
      0.15566046       0.15566046       0.51662609 1.0 
      0.16603782       0.16603782       0.51773449 1.0 
      0.17641519       0.17641519       0.51884290 1.0 
      0.18679255       0.18679255       0.51995131 1.0 
      0.19716992       0.19716992       0.52105971 1.0 
      0.20754728       0.20754728       0.52216812 1.0 
      0.21792464       0.21792464       0.52327652 1.0 
      0.22830201       0.22830201       0.52438493 1.0 
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      0.42547192       0.42547192       0.54544464 1.0 
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      0.50000000       0.50000000       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

