! Pwscf input file created with ciftopw.py 
! Compound: CrAu4
&control
         calculation     = 'bands'
         prefix          = 'CrAu4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.3688499011321458
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.1660075531321099
         celldm(5)       =           -0.1660075531321099
         celldm(6)       =           -0.6679848937357798
         nat             =        5
         ntyp            =        2
         ecutwfc         =       80.00000000
         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
Cr  51.9961 Cr.rel-pbe-oncvpsp.UPF 
Au 196.9666 Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
340
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01428571 1.0 
      0.00000000       0.00000000       0.02857143 1.0 
      0.00000000       0.00000000       0.04285714 1.0 
      0.00000000       0.00000000       0.05714286 1.0 
      0.00000000       0.00000000       0.07142857 1.0 
      0.00000000       0.00000000       0.08571429 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.11428571 1.0 
      0.00000000       0.00000000       0.12857143 1.0 
      0.00000000       0.00000000       0.14285714 1.0 
      0.00000000       0.00000000       0.15714286 1.0 
      0.00000000       0.00000000       0.17142857 1.0 
      0.00000000       0.00000000       0.18571429 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.21428571 1.0 
      0.00000000       0.00000000       0.22857143 1.0 
      0.00000000       0.00000000       0.24285714 1.0 
      0.00000000       0.00000000       0.25714286 1.0 
      0.00000000       0.00000000       0.27142857 1.0 
      0.00000000       0.00000000       0.28571429 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.31428571 1.0 
      0.00000000       0.00000000       0.32857143 1.0 
      0.00000000       0.00000000       0.34285714 1.0 
      0.00000000       0.00000000       0.35714286 1.0 
      0.00000000       0.00000000       0.37142857 1.0 
      0.00000000       0.00000000       0.38571429 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.41428571 1.0 
      0.00000000       0.00000000       0.42857143 1.0 
      0.00000000       0.00000000       0.44285714 1.0 
      0.00000000       0.00000000       0.45714286 1.0 
      0.00000000       0.00000000       0.47142857 1.0 
      0.00000000       0.00000000       0.48571429 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.01428571       0.01428571       0.50000000 1.0 
     -0.02857143       0.02857143       0.50000000 1.0 
     -0.04285714       0.04285714       0.50000000 1.0 
     -0.05714286       0.05714286       0.50000000 1.0 
     -0.07142857       0.07142857       0.50000000 1.0 
     -0.08571429       0.08571429       0.50000000 1.0 
     -0.10000000       0.10000000       0.50000000 1.0 
     -0.11428571       0.11428571       0.50000000 1.0 
     -0.12857143       0.12857143       0.50000000 1.0 
     -0.14285714       0.14285714       0.50000000 1.0 
     -0.15714286       0.15714286       0.50000000 1.0 
     -0.17142857       0.17142857       0.50000000 1.0 
     -0.18571429       0.18571429       0.50000000 1.0 
     -0.20000000       0.20000000       0.50000000 1.0 
     -0.21428571       0.21428571       0.50000000 1.0 
     -0.22857143       0.22857143       0.50000000 1.0 
     -0.24285714       0.24285714       0.50000000 1.0 
     -0.25714286       0.25714286       0.50000000 1.0 
     -0.27142857       0.27142857       0.50000000 1.0 
     -0.28571429       0.28571429       0.50000000 1.0 
     -0.30000000       0.30000000       0.50000000 1.0 
     -0.31428571       0.31428571       0.50000000 1.0 
     -0.32857143       0.32857143       0.50000000 1.0 
     -0.34285714       0.34285714       0.50000000 1.0 
     -0.35714286       0.35714286       0.50000000 1.0 
     -0.37142857       0.37142857       0.50000000 1.0 
     -0.38571429       0.38571429       0.50000000 1.0 
     -0.40000000       0.40000000       0.50000000 1.0 
     -0.41428571       0.41428571       0.50000000 1.0 
     -0.42857143       0.42857143       0.50000000 1.0 
     -0.44285714       0.44285714       0.50000000 1.0 
     -0.45714286       0.45714286       0.50000000 1.0 
     -0.47142857       0.47142857       0.50000000 1.0 
     -0.48571429       0.48571429       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.49000000       0.49000000       0.49000000 1.0 
     -0.48000000       0.48000000       0.48000000 1.0 
     -0.47000000       0.47000000       0.47000000 1.0 
     -0.46000000       0.46000000       0.46000000 1.0 
     -0.45000000       0.45000000       0.45000000 1.0 
     -0.44000000       0.44000000       0.44000000 1.0 
     -0.43000000       0.43000000       0.43000000 1.0 
     -0.42000000       0.42000000       0.42000000 1.0 
     -0.41000000       0.41000000       0.41000000 1.0 
     -0.40000000       0.40000000       0.40000000 1.0 
     -0.39000000       0.39000000       0.39000000 1.0 
     -0.38000000       0.38000000       0.38000000 1.0 
     -0.37000000       0.37000000       0.37000000 1.0 
     -0.36000000       0.36000000       0.36000000 1.0 
     -0.35000000       0.35000000       0.35000000 1.0 
     -0.34000000       0.34000000       0.34000000 1.0 
     -0.33000000       0.33000000       0.33000000 1.0 
     -0.32000000       0.32000000       0.32000000 1.0 
     -0.31000000       0.31000000       0.31000000 1.0 
     -0.30000000       0.30000000       0.30000000 1.0 
     -0.29000000       0.29000000       0.29000000 1.0 
     -0.28000000       0.28000000       0.28000000 1.0 
     -0.27000000       0.27000000       0.27000000 1.0 
     -0.26000000       0.26000000       0.26000000 1.0 
     -0.25000000       0.25000000       0.25000000 1.0 
     -0.24000000       0.24000000       0.24000000 1.0 
     -0.23000000       0.23000000       0.23000000 1.0 
     -0.22000000       0.22000000       0.22000000 1.0 
     -0.21000000       0.21000000       0.21000000 1.0 
     -0.20000000       0.20000000       0.20000000 1.0 
     -0.19000000       0.19000000       0.19000000 1.0 
     -0.18000000       0.18000000       0.18000000 1.0 
     -0.17000000       0.17000000       0.17000000 1.0 
     -0.16000000       0.16000000       0.16000000 1.0 
     -0.15000000       0.15000000       0.15000000 1.0 
     -0.14000000       0.14000000       0.14000000 1.0 
     -0.13000000       0.13000000       0.13000000 1.0 
     -0.12000000       0.12000000       0.12000000 1.0 
     -0.11000000       0.11000000       0.11000000 1.0 
     -0.10000000       0.10000000       0.10000000 1.0 
     -0.09000000       0.09000000       0.09000000 1.0 
     -0.08000000       0.08000000       0.08000000 1.0 
     -0.07000000       0.07000000       0.07000000 1.0 
     -0.06000000       0.06000000       0.06000000 1.0 
     -0.05000000       0.05000000       0.05000000 1.0 
     -0.04000000       0.04000000       0.04000000 1.0 
     -0.03000000       0.03000000       0.03000000 1.0 
     -0.02000000       0.02000000       0.02000000 1.0 
     -0.01000000       0.01000000       0.01000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00635501       0.00635501      -0.00635501 1.0 
      0.01271003       0.01271003      -0.01271003 1.0 
      0.01906504       0.01906504      -0.01906504 1.0 
      0.02542006       0.02542006      -0.02542006 1.0 
      0.03177507       0.03177507      -0.03177507 1.0 
      0.03813009       0.03813009      -0.03813009 1.0 
      0.04448510       0.04448510      -0.04448510 1.0 
      0.05084012       0.05084012      -0.05084012 1.0 
      0.05719513       0.05719513      -0.05719513 1.0 
      0.06355015       0.06355015      -0.06355015 1.0 
      0.06990516       0.06990516      -0.06990516 1.0 
      0.07626018       0.07626018      -0.07626018 1.0 
      0.08261519       0.08261519      -0.08261519 1.0 
      0.08897021       0.08897021      -0.08897021 1.0 
      0.09532522       0.09532522      -0.09532522 1.0 
      0.10168024       0.10168024      -0.10168024 1.0 
      0.10803525       0.10803525      -0.10803525 1.0 
      0.11439027       0.11439027      -0.11439027 1.0 
      0.12074528       0.12074528      -0.12074528 1.0 
      0.12710030       0.12710030      -0.12710030 1.0 
      0.13345531       0.13345531      -0.13345531 1.0 
      0.13981033       0.13981033      -0.13981033 1.0 
      0.14616534       0.14616534      -0.14616534 1.0 
      0.15252035       0.15252035      -0.15252035 1.0 
      0.15887537       0.15887537      -0.15887537 1.0 
      0.16523038       0.16523038      -0.16523038 1.0 
      0.17158540       0.17158540      -0.17158540 1.0 
      0.17794041       0.17794041      -0.17794041 1.0 
      0.18429543       0.18429543      -0.18429543 1.0 
      0.19065044       0.19065044      -0.19065044 1.0 
      0.19700546       0.19700546      -0.19700546 1.0 
      0.20336047       0.20336047      -0.20336047 1.0 
      0.20971549       0.20971549      -0.20971549 1.0 
      0.21607050       0.21607050      -0.21607050 1.0 
      0.22242552       0.22242552      -0.22242552 1.0 
      0.22878053       0.22878053      -0.22878053 1.0 
      0.23513555       0.23513555      -0.23513555 1.0 
      0.24149056       0.24149056      -0.24149056 1.0 
      0.24784558       0.24784558      -0.24784558 1.0 
      0.25420059       0.25420059      -0.25420059 1.0 
      0.26055561       0.26055561      -0.26055561 1.0 
      0.26691062       0.26691062      -0.26691062 1.0 
      0.27326564       0.27326564      -0.27326564 1.0 
      0.27962065       0.27962065      -0.27962065 1.0 
      0.28597567       0.28597567      -0.28597567 1.0 
      0.29233068       0.29233068      -0.29233068 1.0 
      0.29868570       0.29868570      -0.29868570 1.0 
      0.30504071       0.30504071      -0.30504071 1.0 
      0.31139572       0.31139572      -0.31139572 1.0 
      0.31775074       0.31775074      -0.31775074 1.0 
      0.32410575       0.32410575      -0.32410575 1.0 
      0.33046077       0.33046077      -0.33046077 1.0 
      0.33681578       0.33681578      -0.33681578 1.0 
      0.34317080       0.34317080      -0.34317080 1.0 
      0.34952581       0.34952581      -0.34952581 1.0 
      0.34952581       0.34952581      -0.34952581 1.0 
      0.34690671       0.34690671      -0.33374882 1.0 
      0.34428761       0.34428761      -0.31797182 1.0 
      0.34166851       0.34166851      -0.30219483 1.0 
      0.33904941       0.33904941      -0.28641783 1.0 
      0.33643031       0.33643031      -0.27064084 1.0 
      0.33381121       0.33381121      -0.25486384 1.0 
      0.33119211       0.33119211      -0.23908685 1.0 
      0.32857301       0.32857301      -0.22330985 1.0 
      0.32595391       0.32595391      -0.20753286 1.0 
      0.32333481       0.32333481      -0.19175586 1.0 
      0.32071571       0.32071571      -0.17597887 1.0 
      0.31809661       0.31809661      -0.16020187 1.0 
      0.31547751       0.31547751      -0.14442488 1.0 
      0.31285841       0.31285841      -0.12864788 1.0 
      0.31023931       0.31023931      -0.11287089 1.0 
      0.30762021       0.30762021      -0.09709389 1.0 
      0.30500111       0.30500111      -0.08131690 1.0 
      0.30238201       0.30238201      -0.06553990 1.0 
      0.29976291       0.29976291      -0.04976291 1.0 
      0.29714381       0.29714381      -0.03398591 1.0 
      0.29452471       0.29452471      -0.01820892 1.0 
      0.29190561       0.29190561      -0.00243192 1.0 
      0.28928651       0.28928651       0.01334507 1.0 
      0.28666740       0.28666740       0.02912207 1.0 
      0.28404830       0.28404830       0.04489906 1.0 
      0.28142920       0.28142920       0.06067606 1.0 
      0.27881010       0.27881010       0.07645305 1.0 
      0.27619100       0.27619100       0.09223005 1.0 
      0.27357190       0.27357190       0.10800704 1.0 
      0.27095280       0.27095280       0.12378404 1.0 
      0.26833370       0.26833370       0.13956103 1.0 
      0.26571460       0.26571460       0.15533803 1.0 
      0.26309550       0.26309550       0.17111502 1.0 
      0.26047640       0.26047640       0.18689202 1.0 
      0.25785730       0.25785730       0.20266901 1.0 
      0.25523820       0.25523820       0.21844601 1.0 
      0.25261910       0.25261910       0.23422300 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.24000000       0.26000000       0.24000000 1.0 
      0.23000000       0.27000000       0.23000000 1.0 
      0.22000000       0.28000000       0.22000000 1.0 
      0.21000000       0.29000000       0.21000000 1.0 
      0.20000000       0.30000000       0.20000000 1.0 
      0.19000000       0.31000000       0.19000000 1.0 
      0.18000000       0.32000000       0.18000000 1.0 
      0.17000000       0.33000000       0.17000000 1.0 
      0.16000000       0.34000000       0.16000000 1.0 
      0.15000000       0.35000000       0.15000000 1.0 
      0.14000000       0.36000000       0.14000000 1.0 
      0.13000000       0.37000000       0.13000000 1.0 
      0.12000000       0.38000000       0.12000000 1.0 
      0.11000000       0.39000000       0.11000000 1.0 
      0.10000000       0.40000000       0.10000000 1.0 
      0.09000000       0.41000000       0.09000000 1.0 
      0.08000000       0.42000000       0.08000000 1.0 
      0.07000000       0.43000000       0.07000000 1.0 
      0.06000000       0.44000000       0.06000000 1.0 
      0.05000000       0.45000000       0.05000000 1.0 
      0.04000000       0.46000000       0.04000000 1.0 
      0.03000000       0.47000000       0.03000000 1.0 
      0.02000000       0.48000000       0.02000000 1.0 
      0.01000000       0.49000000       0.01000000 1.0 
     -0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
     -0.01165086       0.50501581       0.01165086 1.0 
     -0.02330172       0.51003161       0.02330172 1.0 
     -0.03495258       0.51504742       0.03495258 1.0 
     -0.04660344       0.52006322       0.04660344 1.0 
     -0.05825430       0.52507903       0.05825430 1.0 
     -0.06990516       0.53009484       0.06990516 1.0 
     -0.08155602       0.53511064       0.08155602 1.0 
     -0.09320688       0.54012645       0.09320688 1.0 
     -0.10485774       0.54514226       0.10485774 1.0 
     -0.11650860       0.55015806       0.11650860 1.0 
     -0.12815946       0.55517387       0.12815946 1.0 
     -0.13981033       0.56018967       0.13981033 1.0 
     -0.15146119       0.56520548       0.15146119 1.0 
     -0.16311205       0.57022129       0.16311205 1.0 
     -0.17476291       0.57523709       0.17476291 1.0 
     -0.18641377       0.58025290       0.18641377 1.0 
     -0.19806463       0.58526871       0.19806463 1.0 
     -0.20971549       0.59028451       0.20971549 1.0 
     -0.22136635       0.59530032       0.22136635 1.0 
     -0.23301721       0.60031612       0.23301721 1.0 
     -0.24466807       0.60533193       0.24466807 1.0 
     -0.25631893       0.61034774       0.25631893 1.0 
     -0.26796979       0.61536354       0.26796979 1.0 
     -0.27962065       0.62037935       0.27962065 1.0 
     -0.29127151       0.62539516       0.29127151 1.0 
     -0.30292237       0.63041096       0.30292237 1.0 
     -0.31457323       0.63542677       0.31457323 1.0 
     -0.32622409       0.64044257       0.32622409 1.0 
     -0.33787495       0.64545838       0.33787495 1.0 
     -0.34952581       0.65047419       0.34952581 1.0 
     -0.34952581       0.65047419       0.34952581 1.0 
     -0.35579557       0.64420443       0.35579557 1.0 
     -0.36206533       0.63793467       0.36206533 1.0 
     -0.36833509       0.63166491       0.36833509 1.0 
     -0.37460484       0.62539516       0.37460484 1.0 
     -0.38087460       0.61912540       0.38087460 1.0 
     -0.38714436       0.61285564       0.38714436 1.0 
     -0.39341412       0.60658588       0.39341412 1.0 
     -0.39968388       0.60031612       0.39968388 1.0 
     -0.40595363       0.59404637       0.40595363 1.0 
     -0.41222339       0.58777661       0.41222339 1.0 
     -0.41849315       0.58150685       0.41849315 1.0 
     -0.42476291       0.57523709       0.42476291 1.0 
     -0.43103266       0.56896734       0.43103266 1.0 
     -0.43730242       0.56269758       0.43730242 1.0 
     -0.44357218       0.55642782       0.44357218 1.0 
     -0.44984194       0.55015806       0.44984194 1.0 
     -0.45611170       0.54388830       0.45611170 1.0 
     -0.46238145       0.53761855       0.46238145 1.0 
     -0.46865121       0.53134879       0.46865121 1.0 
     -0.47492097       0.52507903       0.47492097 1.0 
     -0.48119073       0.51880927       0.48119073 1.0 
     -0.48746048       0.51253952       0.48746048 1.0 
     -0.49373024       0.50626976       0.49373024 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00641026       0.00641026       0.49358974 1.0 
      0.01282051       0.01282051       0.48717949 1.0 
      0.01923077       0.01923077       0.48076923 1.0 
      0.02564103       0.02564103       0.47435897 1.0 
      0.03205128       0.03205128       0.46794872 1.0 
      0.03846154       0.03846154       0.46153846 1.0 
      0.04487179       0.04487179       0.45512821 1.0 
      0.05128205       0.05128205       0.44871795 1.0 
      0.05769231       0.05769231       0.44230769 1.0 
      0.06410256       0.06410256       0.43589744 1.0 
      0.07051282       0.07051282       0.42948718 1.0 
      0.07692308       0.07692308       0.42307692 1.0 
      0.08333333       0.08333333       0.41666667 1.0 
      0.08974359       0.08974359       0.41025641 1.0 
      0.09615385       0.09615385       0.40384615 1.0 
      0.10256410       0.10256410       0.39743590 1.0 
      0.10897436       0.10897436       0.39102564 1.0 
      0.11538462       0.11538462       0.38461538 1.0 
      0.12179487       0.12179487       0.37820513 1.0 
      0.12820513       0.12820513       0.37179487 1.0 
      0.13461538       0.13461538       0.36538462 1.0 
      0.14102564       0.14102564       0.35897436 1.0 
      0.14743590       0.14743590       0.35256410 1.0 
      0.15384615       0.15384615       0.34615385 1.0 
      0.16025641       0.16025641       0.33974359 1.0 
      0.16666667       0.16666667       0.33333333 1.0 
      0.17307692       0.17307692       0.32692308 1.0 
      0.17948718       0.17948718       0.32051282 1.0 
      0.18589744       0.18589744       0.31410256 1.0 
      0.19230769       0.19230769       0.30769231 1.0 
      0.19871795       0.19871795       0.30128205 1.0 
      0.20512821       0.20512821       0.29487179 1.0 
      0.21153846       0.21153846       0.28846154 1.0 
      0.21794872       0.21794872       0.28205128 1.0 
      0.22435897       0.22435897       0.27564103 1.0 
      0.23076923       0.23076923       0.26923077 1.0 
      0.23717949       0.23717949       0.26282051 1.0 
      0.24358974       0.24358974       0.25641026 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

