! Pwscf input file created with ciftopw.py 
! Compound: Zr2Ga
&control
         calculation     = 'bands'
         prefix          = 'Zr2Ga'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.3312676959279628
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.2472572967514828
         celldm(5)       =           -0.2472572967514828
         celldm(6)       =           -0.5054854064970346
         nat             =        6
         ntyp            =        2
         ecutwfc         =       50.00000000
         ecutrho         =      240.00000000
         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
Zr  91.2240 Zr.rel-pbe-n-nc.UPF 
Ga  69.7230 Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
305
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000      -0.00000000       0.01470588 1.0 
     -0.00000000      -0.00000000       0.02941176 1.0 
     -0.00000000      -0.00000000       0.04411765 1.0 
     -0.00000000      -0.00000000       0.05882353 1.0 
     -0.00000000      -0.00000000       0.07352941 1.0 
     -0.00000000      -0.00000000       0.08823529 1.0 
     -0.00000000      -0.00000000       0.10294118 1.0 
     -0.00000000      -0.00000000       0.11764706 1.0 
     -0.00000000      -0.00000000       0.13235294 1.0 
     -0.00000000      -0.00000000       0.14705882 1.0 
     -0.00000000      -0.00000000       0.16176471 1.0 
     -0.00000000      -0.00000000       0.17647059 1.0 
     -0.00000000      -0.00000000       0.19117647 1.0 
     -0.00000000      -0.00000000       0.20588235 1.0 
     -0.00000000      -0.00000000       0.22058824 1.0 
     -0.00000000      -0.00000000       0.23529412 1.0 
     -0.00000000      -0.00000000       0.25000000 1.0 
     -0.00000000      -0.00000000       0.26470588 1.0 
     -0.00000000      -0.00000000       0.27941176 1.0 
     -0.00000000      -0.00000000       0.29411765 1.0 
     -0.00000000      -0.00000000       0.30882353 1.0 
     -0.00000000      -0.00000000       0.32352941 1.0 
     -0.00000000      -0.00000000       0.33823529 1.0 
     -0.00000000      -0.00000000       0.35294118 1.0 
     -0.00000000      -0.00000000       0.36764706 1.0 
     -0.00000000      -0.00000000       0.38235294 1.0 
     -0.00000000      -0.00000000       0.39705882 1.0 
     -0.00000000      -0.00000000       0.41176471 1.0 
     -0.00000000      -0.00000000       0.42647059 1.0 
     -0.00000000      -0.00000000       0.44117647 1.0 
     -0.00000000      -0.00000000       0.45588235 1.0 
     -0.00000000      -0.00000000       0.47058824 1.0 
     -0.00000000      -0.00000000       0.48529412 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.01470588       0.01470588       0.50000000 1.0 
     -0.02941176       0.02941176       0.50000000 1.0 
     -0.04411765       0.04411765       0.50000000 1.0 
     -0.05882353       0.05882353       0.50000000 1.0 
     -0.07352941       0.07352941       0.50000000 1.0 
     -0.08823529       0.08823529       0.50000000 1.0 
     -0.10294118       0.10294118       0.50000000 1.0 
     -0.11764706       0.11764706       0.50000000 1.0 
     -0.13235294       0.13235294       0.50000000 1.0 
     -0.14705882       0.14705882       0.50000000 1.0 
     -0.16176471       0.16176471       0.50000000 1.0 
     -0.17647059       0.17647059       0.50000000 1.0 
     -0.19117647       0.19117647       0.50000000 1.0 
     -0.20588235       0.20588235       0.50000000 1.0 
     -0.22058824       0.22058824       0.50000000 1.0 
     -0.23529412       0.23529412       0.50000000 1.0 
     -0.25000000       0.25000000       0.50000000 1.0 
     -0.26470588       0.26470588       0.50000000 1.0 
     -0.27941176       0.27941176       0.50000000 1.0 
     -0.29411765       0.29411765       0.50000000 1.0 
     -0.30882353       0.30882353       0.50000000 1.0 
     -0.32352941       0.32352941       0.50000000 1.0 
     -0.33823529       0.33823529       0.50000000 1.0 
     -0.35294118       0.35294118       0.50000000 1.0 
     -0.36764706       0.36764706       0.50000000 1.0 
     -0.38235294       0.38235294       0.50000000 1.0 
     -0.39705882       0.39705882       0.50000000 1.0 
     -0.41176471       0.41176471       0.50000000 1.0 
     -0.42647059       0.42647059       0.50000000 1.0 
     -0.44117647       0.44117647       0.50000000 1.0 
     -0.45588235       0.45588235       0.50000000 1.0 
     -0.47058824       0.47058824       0.50000000 1.0 
     -0.48529412       0.48529412       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.48936170       0.48936170       0.48936170 1.0 
     -0.47872340       0.47872340       0.47872340 1.0 
     -0.46808511       0.46808511       0.46808511 1.0 
     -0.45744681       0.45744681       0.45744681 1.0 
     -0.44680851       0.44680851       0.44680851 1.0 
     -0.43617021       0.43617021       0.43617021 1.0 
     -0.42553191       0.42553191       0.42553191 1.0 
     -0.41489362       0.41489362       0.41489362 1.0 
     -0.40425532       0.40425532       0.40425532 1.0 
     -0.39361702       0.39361702       0.39361702 1.0 
     -0.38297872       0.38297872       0.38297872 1.0 
     -0.37234043       0.37234043       0.37234043 1.0 
     -0.36170213       0.36170213       0.36170213 1.0 
     -0.35106383       0.35106383       0.35106383 1.0 
     -0.34042553       0.34042553       0.34042553 1.0 
     -0.32978723       0.32978723       0.32978723 1.0 
     -0.31914894       0.31914894       0.31914894 1.0 
     -0.30851064       0.30851064       0.30851064 1.0 
     -0.29787234       0.29787234       0.29787234 1.0 
     -0.28723404       0.28723404       0.28723404 1.0 
     -0.27659574       0.27659574       0.27659574 1.0 
     -0.26595745       0.26595745       0.26595745 1.0 
     -0.25531915       0.25531915       0.25531915 1.0 
     -0.24468085       0.24468085       0.24468085 1.0 
     -0.23404255       0.23404255       0.23404255 1.0 
     -0.22340426       0.22340426       0.22340426 1.0 
     -0.21276596       0.21276596       0.21276596 1.0 
     -0.20212766       0.20212766       0.20212766 1.0 
     -0.19148936       0.19148936       0.19148936 1.0 
     -0.18085106       0.18085106       0.18085106 1.0 
     -0.17021277       0.17021277       0.17021277 1.0 
     -0.15957447       0.15957447       0.15957447 1.0 
     -0.14893617       0.14893617       0.14893617 1.0 
     -0.13829787       0.13829787       0.13829787 1.0 
     -0.12765957       0.12765957       0.12765957 1.0 
     -0.11702128       0.11702128       0.11702128 1.0 
     -0.10638298       0.10638298       0.10638298 1.0 
     -0.09574468       0.09574468       0.09574468 1.0 
     -0.08510638       0.08510638       0.08510638 1.0 
     -0.07446809       0.07446809       0.07446809 1.0 
     -0.06382979       0.06382979       0.06382979 1.0 
     -0.05319149       0.05319149       0.05319149 1.0 
     -0.04255319       0.04255319       0.04255319 1.0 
     -0.03191489       0.03191489       0.03191489 1.0 
     -0.02127660       0.02127660       0.02127660 1.0 
     -0.01063830       0.01063830       0.01063830 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00862995       0.00862995      -0.00862995 1.0 
      0.01725990       0.01725990      -0.01725990 1.0 
      0.02588985       0.02588985      -0.02588985 1.0 
      0.03451980       0.03451980      -0.03451980 1.0 
      0.04314975       0.04314975      -0.04314975 1.0 
      0.05177970       0.05177970      -0.05177970 1.0 
      0.06040965       0.06040965      -0.06040965 1.0 
      0.06903960       0.06903960      -0.06903960 1.0 
      0.07766955       0.07766955      -0.07766955 1.0 
      0.08629950       0.08629950      -0.08629950 1.0 
      0.09492945       0.09492945      -0.09492945 1.0 
      0.10355940       0.10355940      -0.10355940 1.0 
      0.11218935       0.11218935      -0.11218935 1.0 
      0.12081930       0.12081930      -0.12081930 1.0 
      0.12944925       0.12944925      -0.12944925 1.0 
      0.13807920       0.13807920      -0.13807920 1.0 
      0.14670915       0.14670915      -0.14670915 1.0 
      0.15533910       0.15533910      -0.15533910 1.0 
      0.16396905       0.16396905      -0.16396905 1.0 
      0.17259900       0.17259900      -0.17259900 1.0 
      0.18122895       0.18122895      -0.18122895 1.0 
      0.18985890       0.18985890      -0.18985890 1.0 
      0.19848885       0.19848885      -0.19848885 1.0 
      0.20711880       0.20711880      -0.20711880 1.0 
      0.21574875       0.21574875      -0.21574875 1.0 
      0.22437870       0.22437870      -0.22437870 1.0 
      0.23300865       0.23300865      -0.23300865 1.0 
      0.24163859       0.24163859      -0.24163859 1.0 
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      0.25889849       0.25889849      -0.25889849 1.0 
      0.26752844       0.26752844      -0.26752844 1.0 
      0.27615839       0.27615839      -0.27615839 1.0 
      0.28478834       0.28478834      -0.28478834 1.0 
      0.29341829       0.29341829      -0.29341829 1.0 
      0.30204824       0.30204824      -0.30204824 1.0 
      0.31067819       0.31067819      -0.31067819 1.0 
      0.31930814       0.31930814      -0.31930814 1.0 
      0.32793809       0.32793809      -0.32793809 1.0 
      0.33656804       0.33656804      -0.33656804 1.0 
      0.34519799       0.34519799      -0.34519799 1.0 
      0.35382794       0.35382794      -0.35382794 1.0 
      0.36245789       0.36245789      -0.36245789 1.0 
      0.37108784       0.37108784      -0.37108784 1.0 
      0.37971779       0.37971779      -0.37971779 1.0 
      0.38834774       0.38834774      -0.38834774 1.0 
      0.39697769       0.39697769      -0.39697769 1.0 
      0.40560764       0.40560764      -0.40560764 1.0 
      0.41423759       0.41423759      -0.41423759 1.0 
      0.41423759       0.41423759      -0.41423759 1.0 
      0.41002637       0.41002637      -0.39720586 1.0 
      0.40581515       0.40581515      -0.38017412 1.0 
      0.40160393       0.40160393      -0.36314239 1.0 
      0.39739271       0.39739271      -0.34611066 1.0 
      0.39318149       0.39318149      -0.32907893 1.0 
      0.38897027       0.38897027      -0.31204719 1.0 
      0.38475905       0.38475905      -0.29501546 1.0 
      0.38054783       0.38054783      -0.27798373 1.0 
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      0.37212539       0.37212539      -0.24392026 1.0 
      0.36791417       0.36791417      -0.22688853 1.0 
      0.36370295       0.36370295      -0.20985679 1.0 
      0.35949173       0.35949173      -0.19282506 1.0 
      0.35528051       0.35528051      -0.17579333 1.0 
      0.35106929       0.35106929      -0.15876159 1.0 
      0.34685807       0.34685807      -0.14172986 1.0 
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      0.33843563       0.33843563      -0.10766640 1.0 
      0.33422441       0.33422441      -0.09063466 1.0 
      0.33001319       0.33001319      -0.07360293 1.0 
      0.32580197       0.32580197      -0.05657120 1.0 
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      0.31316830       0.31316830      -0.00547600 1.0 
      0.30895708       0.30895708       0.01155574 1.0 
      0.30474586       0.30474586       0.02858747 1.0 
      0.30053464       0.30053464       0.04561920 1.0 
      0.29632342       0.29632342       0.06265094 1.0 
      0.29211220       0.29211220       0.07968267 1.0 
      0.28790098       0.28790098       0.09671440 1.0 
      0.28368976       0.28368976       0.11374614 1.0 
      0.27947854       0.27947854       0.13077787 1.0 
      0.27526732       0.27526732       0.14780960 1.0 
      0.27105610       0.27105610       0.16484133 1.0 
      0.26684488       0.26684488       0.18187307 1.0 
      0.26263366       0.26263366       0.19890480 1.0 
      0.25842244       0.25842244       0.21593653 1.0 
      0.25421122       0.25421122       0.23296827 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
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      0.23958333       0.26041667       0.23958333 1.0 
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      0.21875000       0.28125000       0.21875000 1.0 
      0.20833333       0.29166667       0.20833333 1.0 
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      0.18750000       0.31250000       0.18750000 1.0 
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      0.16666667       0.33333333       0.16666667 1.0 
      0.15625000       0.34375000       0.15625000 1.0 
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      0.08333333       0.41666667       0.08333333 1.0 
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      0.06250000       0.43750000       0.06250000 1.0 
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      0.03125000       0.46875000       0.03125000 1.0 
      0.02083333       0.47916667       0.02083333 1.0 
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      0.00000000       0.50000000       0.00000000 1.0 
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     -0.24052505       0.54979753       0.24052505 1.0 
     -0.25388756       0.55256406       0.25388756 1.0 
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     -0.30733757       0.56363017       0.30733757 1.0 
     -0.32070007       0.56639670       0.32070007 1.0 
     -0.33406257       0.56916323       0.33406257 1.0 
     -0.34742508       0.57192976       0.34742508 1.0 
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      0.22413793       0.22413793       0.27586207 1.0 
      0.23275862       0.23275862       0.26724138 1.0 
      0.24137931       0.24137931       0.25862069 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

