! Pwscf input file created with pymatgen.py 
! Compound: MgGeAs2
&control
         calculation     = 'bands'
         prefix          = 'MgGeAs2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.0628447946092088
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.6430013655658194
         celldm(5)       =           -0.6430013655658194
         celldm(6)       =            0.2860027311316392
         nat             =        8
         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-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Ge  72.6400 Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Mg  24.3050 Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
270
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000       0.00000000       0.01282051 1.0 
     -0.00000000       0.00000000       0.02564103 1.0 
     -0.00000000       0.00000000       0.03846154 1.0 
     -0.00000000       0.00000000       0.05128205 1.0 
     -0.00000000       0.00000000       0.06410256 1.0 
     -0.00000000       0.00000000       0.07692308 1.0 
     -0.00000000       0.00000000       0.08974359 1.0 
     -0.00000000       0.00000000       0.10256410 1.0 
     -0.00000000       0.00000000       0.11538462 1.0 
     -0.00000000       0.00000000       0.12820513 1.0 
     -0.00000000      -0.00000000       0.14102564 1.0 
     -0.00000000       0.00000000       0.15384615 1.0 
     -0.00000000      -0.00000000       0.16666667 1.0 
     -0.00000000       0.00000000       0.17948718 1.0 
     -0.00000000       0.00000000       0.19230769 1.0 
     -0.00000000       0.00000000       0.20512821 1.0 
     -0.00000000       0.00000000       0.21794872 1.0 
     -0.00000000       0.00000000       0.23076923 1.0 
     -0.00000000       0.00000000       0.24358974 1.0 
     -0.00000000       0.00000000       0.25641026 1.0 
     -0.00000000       0.00000000       0.26923077 1.0 
     -0.00000000      -0.00000000       0.28205128 1.0 
     -0.00000000       0.00000000       0.29487179 1.0 
     -0.00000000       0.00000000       0.30769231 1.0 
     -0.00000000      -0.00000000       0.32051282 1.0 
     -0.00000000      -0.00000000       0.33333333 1.0 
     -0.00000000       0.00000000       0.34615385 1.0 
     -0.00000000       0.00000000       0.35897436 1.0 
     -0.00000000      -0.00000000       0.37179487 1.0 
     -0.00000000       0.00000000       0.38461538 1.0 
     -0.00000000       0.00000000       0.39743590 1.0 
     -0.00000000       0.00000000       0.41025641 1.0 
     -0.00000000       0.00000000       0.42307692 1.0 
     -0.00000000       0.00000000       0.43589744 1.0 
     -0.00000000       0.00000000       0.44871795 1.0 
     -0.00000000       0.00000000       0.46153846 1.0 
     -0.00000000       0.00000000       0.47435897 1.0 
     -0.00000000       0.00000000       0.48717949 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.01261833       0.01261833       0.50000000 1.0 
     -0.02523667       0.02523667       0.50000000 1.0 
     -0.03785500       0.03785500       0.50000000 1.0 
     -0.05047333       0.05047333       0.50000000 1.0 
     -0.06309166       0.06309166       0.50000000 1.0 
     -0.07571000       0.07571000       0.50000000 1.0 
     -0.08832833       0.08832833       0.50000000 1.0 
     -0.10094666       0.10094666       0.50000000 1.0 
     -0.11356500       0.11356500       0.50000000 1.0 
     -0.12618333       0.12618333       0.50000000 1.0 
     -0.13880166       0.13880166       0.50000000 1.0 
     -0.13880166       0.13880166       0.50000000 1.0 
     -0.14783162       0.14783162       0.49097004 1.0 
     -0.15686158       0.15686158       0.48194008 1.0 
     -0.16589154       0.16589154       0.47291012 1.0 
     -0.17492150       0.17492150       0.46388017 1.0 
     -0.18395145       0.18395145       0.45485021 1.0 
     -0.19298141       0.19298141       0.44582025 1.0 
     -0.20201137       0.20201137       0.43679029 1.0 
     -0.21104133       0.21104133       0.42776033 1.0 
     -0.22007129       0.22007129       0.41873037 1.0 
     -0.22910125       0.22910125       0.40970042 1.0 
     -0.23813121       0.23813121       0.40067046 1.0 
     -0.24716116       0.24716116       0.39164050 1.0 
     -0.25619112       0.25619112       0.38261054 1.0 
     -0.26522108       0.26522108       0.37358058 1.0 
     -0.27425104       0.27425104       0.36455062 1.0 
     -0.28328100       0.28328100       0.35552067 1.0 
     -0.29231096       0.29231096       0.34649071 1.0 
     -0.30134091       0.30134091       0.33746075 1.0 
     -0.31037087       0.31037087       0.32843079 1.0 
     -0.31940083       0.31940083       0.31940083 1.0 
     -0.31940083       0.31940083       0.31940083 1.0 
     -0.31027509       0.31027509       0.31027509 1.0 
     -0.30114936       0.30114936       0.30114936 1.0 
     -0.29202362       0.29202362       0.29202362 1.0 
     -0.28289788       0.28289788       0.28289788 1.0 
     -0.27377214       0.27377214       0.27377214 1.0 
     -0.26464640       0.26464640       0.26464640 1.0 
     -0.25552067       0.25552067       0.25552067 1.0 
     -0.24639493       0.24639493       0.24639493 1.0 
     -0.23726919       0.23726919       0.23726919 1.0 
     -0.22814345       0.22814345       0.22814345 1.0 
     -0.21901771       0.21901771       0.21901771 1.0 
     -0.20989197       0.20989197       0.20989197 1.0 
     -0.20076624       0.20076624       0.20076624 1.0 
     -0.19164050       0.19164050       0.19164050 1.0 
     -0.18251476       0.18251476       0.18251476 1.0 
     -0.17338902       0.17338902       0.17338902 1.0 
     -0.16426328       0.16426328       0.16426328 1.0 
     -0.15513755       0.15513755       0.15513755 1.0 
     -0.14601181       0.14601181       0.14601181 1.0 
     -0.13688607       0.13688607       0.13688607 1.0 
     -0.12776033       0.12776033       0.12776033 1.0 
     -0.11863459       0.11863459       0.11863459 1.0 
     -0.10950886       0.10950886       0.10950886 1.0 
     -0.10038312       0.10038312       0.10038312 1.0 
     -0.09125738       0.09125738       0.09125738 1.0 
     -0.08213164       0.08213164       0.08213164 1.0 
     -0.07300590       0.07300590       0.07300590 1.0 
     -0.06388017       0.06388017       0.06388017 1.0 
     -0.05475443       0.05475443       0.05475443 1.0 
     -0.04562869       0.04562869       0.04562869 1.0 
     -0.03650295       0.03650295       0.03650295 1.0 
     -0.02737721       0.02737721       0.02737721 1.0 
     -0.01825148       0.01825148       0.01825148 1.0 
     -0.00912574       0.00912574       0.00912574 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01724138       0.01724138      -0.01724138 1.0 
      0.03448276       0.03448276      -0.03448276 1.0 
      0.05172414       0.05172414      -0.05172414 1.0 
      0.06896552       0.06896552      -0.06896552 1.0 
      0.08620690       0.08620690      -0.08620690 1.0 
      0.10344828       0.10344828      -0.10344828 1.0 
      0.12068966       0.12068966      -0.12068966 1.0 
      0.13793103       0.13793103      -0.13793103 1.0 
      0.15517241       0.15517241      -0.15517241 1.0 
      0.17241379       0.17241379      -0.17241379 1.0 
      0.18965517       0.18965517      -0.18965517 1.0 
      0.20689655       0.20689655      -0.20689655 1.0 
      0.22413793       0.22413793      -0.22413793 1.0 
      0.24137931       0.24137931      -0.24137931 1.0 
      0.25862069       0.25862069      -0.25862069 1.0 
      0.27586207       0.27586207      -0.27586207 1.0 
      0.29310345       0.29310345      -0.29310345 1.0 
      0.31034483       0.31034483      -0.31034483 1.0 
      0.32758621       0.32758621      -0.32758621 1.0 
      0.34482759       0.34482759      -0.34482759 1.0 
      0.36206897       0.36206897      -0.36206897 1.0 
      0.37931034       0.37931034      -0.37931034 1.0 
      0.39655172       0.39655172      -0.39655172 1.0 
      0.41379310       0.41379310      -0.41379310 1.0 
      0.43103448       0.43103448      -0.43103448 1.0 
      0.44827586       0.44827586      -0.44827586 1.0 
      0.46551724       0.46551724      -0.46551724 1.0 
      0.48275862       0.48275862      -0.48275862 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49097004       0.50902996      -0.49097004 1.0 
      0.48194008       0.51805992      -0.48194008 1.0 
      0.47291012       0.52708988      -0.47291012 1.0 
      0.46388017       0.53611983      -0.46388017 1.0 
      0.45485021       0.54514979      -0.45485021 1.0 
      0.44582025       0.55417975      -0.44582025 1.0 
      0.43679029       0.56320971      -0.43679029 1.0 
      0.42776033       0.57223967      -0.42776033 1.0 
      0.41873037       0.58126963      -0.41873037 1.0 
      0.40970042       0.59029958      -0.40970042 1.0 
      0.40067046       0.59932954      -0.40067046 1.0 
      0.39164050       0.60835950      -0.39164050 1.0 
      0.38261054       0.61738946      -0.38261054 1.0 
      0.37358058       0.62641942      -0.37358058 1.0 
      0.36455062       0.63544938      -0.36455062 1.0 
      0.35552067       0.64447933      -0.35552067 1.0 
      0.34649071       0.65350929      -0.34649071 1.0 
      0.33746075       0.66253925      -0.33746075 1.0 
      0.32843079       0.67156921      -0.32843079 1.0 
      0.31940083       0.68059917      -0.31940083 1.0 
      0.31940083       0.68059917      -0.31940083 1.0 
      0.30061255       0.66997569      -0.30061255 1.0 
      0.28182426       0.65935221      -0.28182426 1.0 
      0.26303598       0.64872873      -0.26303598 1.0 
      0.24424769       0.63810525      -0.24424769 1.0 
      0.22545941       0.62748177      -0.22545941 1.0 
      0.20667113       0.61685829      -0.20667113 1.0 
      0.18788284       0.60623481      -0.18788284 1.0 
      0.16909456       0.59561132      -0.16909456 1.0 
      0.15030627       0.58498784      -0.15030627 1.0 
      0.13151799       0.57436436      -0.13151799 1.0 
      0.11272971       0.56374088      -0.11272971 1.0 
      0.09394142       0.55311740      -0.09394142 1.0 
      0.07515314       0.54249392      -0.07515314 1.0 
      0.05636485       0.53187044      -0.05636485 1.0 
      0.03757657       0.52124696      -0.03757657 1.0 
      0.01878828       0.51062348      -0.01878828 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00925926       0.49074074       0.00925926 1.0 
      0.01851852       0.48148148       0.01851852 1.0 
      0.02777778       0.47222222       0.02777778 1.0 
      0.03703704       0.46296296       0.03703704 1.0 
      0.04629630       0.45370370       0.04629630 1.0 
      0.05555556       0.44444444       0.05555556 1.0 
      0.06481481       0.43518519       0.06481481 1.0 
      0.07407407       0.42592593       0.07407407 1.0 
      0.08333333       0.41666667       0.08333333 1.0 
      0.09259259       0.40740741       0.09259259 1.0 
      0.10185185       0.39814815       0.10185185 1.0 
      0.11111111       0.38888889       0.11111111 1.0 
      0.12037037       0.37962963       0.12037037 1.0 
      0.12962963       0.37037037       0.12962963 1.0 
      0.13888889       0.36111111       0.13888889 1.0 
      0.14814815       0.35185185       0.14814815 1.0 
      0.15740741       0.34259259       0.15740741 1.0 
      0.16666667       0.33333333       0.16666667 1.0 
      0.17592593       0.32407407       0.17592593 1.0 
      0.18518519       0.31481481       0.18518519 1.0 
      0.19444444       0.30555556       0.19444444 1.0 
      0.20370370       0.29629630       0.20370370 1.0 
      0.21296296       0.28703704       0.21296296 1.0 
      0.22222222       0.27777778       0.22222222 1.0 
      0.23148148       0.26851852       0.23148148 1.0 
      0.24074074       0.25925926       0.24074074 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.26388889       0.26388889       0.22839991 1.0 
      0.27777778       0.27777778       0.20679982 1.0 
      0.29166667       0.29166667       0.18519972 1.0 
      0.30555556       0.30555556       0.16359963 1.0 
      0.31944444       0.31944444       0.14199954 1.0 
      0.33333333       0.33333333       0.12039945 1.0 
      0.34722222       0.34722222       0.09879935 1.0 
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      0.37500000       0.37500000       0.05559917 1.0 
      0.38888889       0.38888889       0.03399908 1.0 
      0.40277778       0.40277778       0.01239898 1.0 
      0.41666667       0.41666667      -0.00920111 1.0 
      0.43055556       0.43055556      -0.03080120 1.0 
      0.44444444       0.44444444      -0.05240129 1.0 
      0.45833333       0.45833333      -0.07400139 1.0 
      0.47222222       0.47222222      -0.09560148 1.0 
      0.48611111       0.48611111      -0.11720157 1.0 
      0.50000000       0.50000000      -0.13880166 1.0 
      0.50000000       0.50000000      -0.13880166 1.0 
      0.50000000       0.50000000      -0.15170160 1.0 
      0.50000000       0.50000000      -0.16460154 1.0 
      0.50000000       0.50000000      -0.17750148 1.0 
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      0.50000000       0.50000000      -0.20330137 1.0 
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      0.50000000       0.50000000      -0.34520071 1.0 
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      0.50000000       0.50000000      -0.46130018 1.0 
      0.50000000       0.50000000      -0.47420012 1.0 
      0.50000000       0.50000000      -0.48710006 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
      0.01666667       0.01666667       0.48333333 1.0 
      0.03333333       0.03333333       0.46666667 1.0 
      0.05000000       0.05000000       0.45000000 1.0 
      0.06666667       0.06666667       0.43333333 1.0 
      0.08333333       0.08333333       0.41666667 1.0 
      0.10000000       0.10000000       0.40000000 1.0 
      0.11666667       0.11666667       0.38333333 1.0 
      0.13333333       0.13333333       0.36666667 1.0 
      0.15000000       0.15000000       0.35000000 1.0 
      0.16666667       0.16666667       0.33333333 1.0 
      0.18333333       0.18333333       0.31666667 1.0 
      0.20000000       0.20000000       0.30000000 1.0 
      0.21666667       0.21666667       0.28333333 1.0 
      0.23333333       0.23333333       0.26666667 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

