! Pwscf input file created with ciftopw.py 
! Compound: Ca5Au2
&control
         calculation     = 'bands'
         prefix          = 'Ca5Au2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           17.1778309019830964
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8521342184771499
         celldm(4)       =            0.1171742068683148
         celldm(5)       =            0.1171742068683148
         celldm(6)       =            0.7194581232722541
         nat             =       14
         ntyp            =        2
         ecutwfc         =       46.00000000
         ecutrho         =      424.00000000
         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
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Au 196.9666 Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
220
      0.00000000       0.00000000       0.00000000 1.0 
      0.02631579       0.02631579      -0.00000000 1.0 
      0.05263158       0.05263158      -0.00000000 1.0 
      0.07894737       0.07894737       0.00000000 1.0 
      0.10526316       0.10526316      -0.00000000 1.0 
      0.13157895       0.13157895       0.00000000 1.0 
      0.15789474       0.15789474       0.00000000 1.0 
      0.18421053       0.18421053      -0.00000000 1.0 
      0.21052632       0.21052632      -0.00000000 1.0 
      0.23684211       0.23684211      -0.00000000 1.0 
      0.26315789       0.26315789       0.00000000 1.0 
      0.28947368       0.28947368       0.00000000 1.0 
      0.31578947       0.31578947       0.00000000 1.0 
      0.34210526       0.34210526      -0.00000000 1.0 
      0.36842105       0.36842105      -0.00000000 1.0 
      0.39473684       0.39473684       0.00000000 1.0 
      0.42105263       0.42105263      -0.00000000 1.0 
      0.44736842       0.44736842       0.00000000 1.0 
      0.47368421       0.47368421      -0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50325024       0.50325024       0.02363698 1.0 
      0.50650049       0.50650049       0.04727396 1.0 
      0.50975073       0.50975073       0.07091093 1.0 
      0.51300098       0.51300098       0.09454791 1.0 
      0.51625122       0.51625122       0.11818489 1.0 
      0.51950146       0.51950146       0.14182187 1.0 
      0.52275171       0.52275171       0.16545885 1.0 
      0.52600195       0.52600195       0.18909582 1.0 
      0.52925220       0.52925220       0.21273280 1.0 
      0.53250244       0.53250244       0.23636978 1.0 
      0.53575268       0.53575268       0.26000676 1.0 
      0.53900293       0.53900293       0.28364374 1.0 
      0.54225317       0.54225317       0.30728071 1.0 
      0.54550342       0.54550342       0.33091769 1.0 
      0.54875366       0.54875366       0.35455467 1.0 
      0.55200390       0.55200390       0.37819165 1.0 
      0.55525415       0.55525415       0.40182863 1.0 
      0.55850439       0.55850439       0.42546560 1.0 
      0.56175464       0.56175464       0.44910258 1.0 
      0.56175464       0.56175464       0.44910258 1.0 
      0.54631598       0.54631598       0.46182694 1.0 
      0.53087732       0.53087732       0.47455129 1.0 
      0.51543866       0.51543866       0.48727565 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.58378987       0.41621013       0.50000000 1.0 
      0.59426360       0.40573640       0.50000000 1.0 
      0.60473733       0.39526267       0.50000000 1.0 
      0.61521107       0.38478893       0.50000000 1.0 
      0.62568480       0.37431520       0.50000000 1.0 
      0.63615853       0.36384147       0.50000000 1.0 
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      0.67805346       0.32194654       0.50000000 1.0 
      0.68852720       0.31147280       0.50000000 1.0 
      0.69900093       0.30099907       0.50000000 1.0 
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      0.28005160      -0.28005160       0.50000000 1.0 
      0.26928039      -0.26928039       0.50000000 1.0 
      0.25850917      -0.25850917       0.50000000 1.0 
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      0.22619553      -0.22619553       0.50000000 1.0 
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      0.20465309      -0.20465309       0.50000000 1.0 
      0.19388188      -0.19388188       0.50000000 1.0 
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      0.17233945      -0.17233945       0.50000000 1.0 
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      0.09694094      -0.09694094       0.50000000 1.0 
      0.08616972      -0.08616972       0.50000000 1.0 
      0.07539851      -0.07539851       0.50000000 1.0 
      0.06462729      -0.06462729       0.50000000 1.0 
      0.05385608      -0.05385608       0.50000000 1.0 
      0.04308486      -0.04308486       0.50000000 1.0 
      0.03231365      -0.03231365       0.50000000 1.0 
      0.02154243      -0.02154243       0.50000000 1.0 
      0.01077122      -0.01077122       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02577914       0.02577914       0.50299397 1.0 
      0.05155828       0.05155828       0.50598793 1.0 
      0.07733742       0.07733742       0.50898190 1.0 
      0.10311656       0.10311656       0.51197586 1.0 
      0.12889570       0.12889570       0.51496983 1.0 
      0.15467483       0.15467483       0.51796379 1.0 
      0.18045397       0.18045397       0.52095776 1.0 
      0.20623311       0.20623311       0.52395173 1.0 
      0.23201225       0.23201225       0.52694569 1.0 
      0.25779139       0.25779139       0.52993966 1.0 
      0.28357053       0.28357053       0.53293362 1.0 
      0.30934967       0.30934967       0.53592759 1.0 
      0.33512881       0.33512881       0.53892155 1.0 
      0.36090795       0.36090795       0.54191552 1.0 
      0.38668709       0.38668709       0.54490949 1.0 
      0.41246622       0.41246622       0.54790345 1.0 
      0.43824536       0.43824536       0.55089742 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51042744       0.48957256       0.00000000 1.0 
      0.52085487       0.47914513       0.00000000 1.0 
      0.53128231       0.46871769       0.00000000 1.0 
      0.54170975       0.45829025       0.00000000 1.0 
      0.55213719       0.44786281       0.00000000 1.0 
      0.56256462       0.43743538       0.00000000 1.0 
      0.57299206       0.42700794       0.00000000 1.0 
      0.58341950       0.41658050       0.00000000 1.0 
      0.59384693       0.40615307       0.00000000 1.0 
      0.60427437       0.39572563       0.00000000 1.0 
      0.61470181       0.38529819       0.00000000 1.0 
      0.62512924       0.37487076       0.00000000 1.0 
      0.63555668       0.36444332       0.00000000 1.0 
      0.64598412       0.35401588       0.00000000 1.0 
      0.65641156       0.34358844       0.00000000 1.0 
      0.66683899       0.33316101       0.00000000 1.0 
      0.67726643       0.32273357       0.00000000 1.0 
      0.68769387       0.31230613       0.00000000 1.0 
      0.69812130       0.30187870       0.00000000 1.0 
      0.70854874       0.29145126       0.00000000 1.0 
      0.29145126      -0.29145126       0.00000000 1.0 
      0.28065677      -0.28065677       0.00000000 1.0 
      0.26986228      -0.26986228       0.00000000 1.0 
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      0.44000000      -0.00000000      -0.00000000 1.0 
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      0.50000000       0.00000000       0.00000000 1.0 
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      0.40625000       0.00000000       0.40625000 1.0 
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      0.28125000      -0.00000000       0.28125000 1.0 
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      0.25000000       0.00000000       0.25000000 1.0 
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      0.14062500      -0.00000000       0.14062500 1.0 
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      0.03125000      -0.00000000       0.03125000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

