! Pwscf input file created with ciftopw.py 
! Compound: Ba3Au2
&control
         calculation     = 'bands'
         prefix          = 'Ba3Au2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           16.2623149027661178
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.3247108098715314
         celldm(5)       =            0.3247108098715314
         celldm(6)       =            0.3247108098715314
         nat             =       15
         ntyp            =        2
         ecutwfc         =       42.00000000
         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
Ba 137.3270 Ba.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
162
      0.00000000       0.00000000       0.00000000 1.0 
      0.02500000      -0.00000000       0.00000000 1.0 
      0.05000000      -0.00000000       0.00000000 1.0 
      0.07500000       0.00000000       0.00000000 1.0 
      0.10000000      -0.00000000       0.00000000 1.0 
      0.12500000       0.00000000       0.00000000 1.0 
      0.15000000       0.00000000       0.00000000 1.0 
      0.17500000       0.00000000       0.00000000 1.0 
      0.20000000      -0.00000000       0.00000000 1.0 
      0.22500000       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.27500000      -0.00000000       0.00000000 1.0 
      0.30000000       0.00000000       0.00000000 1.0 
      0.32500000       0.00000000       0.00000000 1.0 
      0.35000000       0.00000000       0.00000000 1.0 
      0.37500000       0.00000000       0.00000000 1.0 
      0.40000000      -0.00000000       0.00000000 1.0 
      0.42500000       0.00000000       0.00000000 1.0 
      0.45000000       0.00000000       0.00000000 1.0 
      0.47500000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.01515683      -0.01515683 1.0 
      0.50000000       0.03031366      -0.03031366 1.0 
      0.50000000       0.04547048      -0.04547048 1.0 
      0.50000000       0.06062731      -0.06062731 1.0 
      0.50000000       0.07578414      -0.07578414 1.0 
      0.50000000       0.09094097      -0.09094097 1.0 
      0.50000000       0.10609780      -0.10609780 1.0 
      0.50000000       0.12125463      -0.12125463 1.0 
      0.50000000       0.13641145      -0.13641145 1.0 
      0.50000000       0.15156828      -0.15156828 1.0 
      0.50000000       0.16672511      -0.16672511 1.0 
      0.50000000       0.18188194      -0.18188194 1.0 
      0.50000000       0.19703877      -0.19703877 1.0 
      0.50000000       0.21219559      -0.21219559 1.0 
      0.50000000       0.22735242      -0.22735242 1.0 
      0.50000000       0.24250925      -0.24250925 1.0 
      0.50000000       0.25766608      -0.25766608 1.0 
      0.50000000       0.27282291      -0.27282291 1.0 
      0.50000000       0.28797973      -0.28797973 1.0 
      0.50000000       0.30313656      -0.30313656 1.0 
      0.69686344       0.50000000       0.30313656 1.0 
      0.68172010       0.50000000       0.31827990 1.0 
      0.66657675       0.50000000       0.33342325 1.0 
      0.65143341       0.50000000       0.34856659 1.0 
      0.63629007       0.50000000       0.36370993 1.0 
      0.62114673       0.50000000       0.37885327 1.0 
      0.60600339       0.50000000       0.39399661 1.0 
      0.59086005       0.50000000       0.40913995 1.0 
      0.57571671       0.50000000       0.42428329 1.0 
      0.56057337       0.50000000       0.43942663 1.0 
      0.54543002       0.50000000       0.45456998 1.0 
      0.53028668       0.50000000       0.46971332 1.0 
      0.51514334       0.50000000       0.48485666 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48000000       0.48000000       0.48000000 1.0 
      0.46000000       0.46000000       0.46000000 1.0 
      0.44000000       0.44000000       0.44000000 1.0 
      0.42000000       0.42000000       0.42000000 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.38000000       0.38000000       0.38000000 1.0 
      0.36000000       0.36000000       0.36000000 1.0 
      0.34000000       0.34000000       0.34000000 1.0 
      0.32000000       0.32000000       0.32000000 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.28000000       0.28000000       0.28000000 1.0 
      0.26000000       0.26000000       0.26000000 1.0 
      0.24000000       0.24000000       0.24000000 1.0 
      0.22000000       0.22000000       0.22000000 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.18000000       0.18000000       0.18000000 1.0 
      0.16000000       0.16000000       0.16000000 1.0 
      0.14000000       0.14000000       0.14000000 1.0 
      0.12000000       0.12000000       0.12000000 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.08000000       0.08000000       0.08000000 1.0 
      0.06000000       0.06000000       0.06000000 1.0 
      0.04000000       0.04000000       0.04000000 1.0 
      0.02000000       0.02000000       0.02000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01544493       0.00000000      -0.01544493 1.0 
      0.03088987       0.00000000      -0.03088987 1.0 
      0.04633480       0.00000000      -0.04633480 1.0 
      0.06177974       0.00000000      -0.06177974 1.0 
      0.07722467       0.00000000      -0.07722467 1.0 
      0.09266960       0.00000000      -0.09266960 1.0 
      0.10811454       0.00000000      -0.10811454 1.0 
      0.12355947       0.00000000      -0.12355947 1.0 
      0.13900441       0.00000000      -0.13900441 1.0 
      0.15444934       0.00000000      -0.15444934 1.0 
      0.16989427       0.00000000      -0.16989427 1.0 
      0.18533921       0.00000000      -0.18533921 1.0 
      0.20078414       0.00000000      -0.20078414 1.0 
      0.21622907       0.00000000      -0.21622907 1.0 
      0.23167401       0.00000000      -0.23167401 1.0 
      0.24711894       0.00000000      -0.24711894 1.0 
      0.26256388       0.00000000      -0.26256388 1.0 
      0.27800881       0.00000000      -0.27800881 1.0 
      0.29345374       0.00000000      -0.29345374 1.0 
      0.30889868       0.00000000      -0.30889868 1.0 
      0.32434361       0.00000000      -0.32434361 1.0 
      0.33978855       0.00000000      -0.33978855 1.0 
      0.35523348       0.00000000      -0.35523348 1.0 
      0.37067841       0.00000000      -0.37067841 1.0 
      0.38612335       0.00000000      -0.38612335 1.0 
      0.40156828       0.00000000      -0.40156828 1.0 
      0.59843172       0.40156828       0.00000000 1.0 
      0.58437004       0.41562996       0.00000000 1.0 
      0.57030837       0.42969163       0.00000000 1.0 
      0.55624670       0.44375330       0.00000000 1.0 
      0.54218502       0.45781498       0.00000000 1.0 
      0.52812335       0.47187665       0.00000000 1.0 
      0.51406167       0.48593833       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50820264       0.50820264       0.02526138 1.0 
      0.51640529       0.51640529       0.05052276 1.0 
      0.52460793       0.52460793       0.07578414 1.0 
      0.53281057       0.53281057       0.10104552 1.0 
      0.54101322       0.54101322       0.12630690 1.0 
      0.54921586       0.54921586       0.15156828 1.0 
      0.55741850       0.55741850       0.17682966 1.0 
      0.56562115       0.56562115       0.20209104 1.0 
      0.57382379       0.57382379       0.22735242 1.0 
      0.58202643       0.58202643       0.25261380 1.0 
      0.59022908       0.59022908       0.27787518 1.0 
      0.59843172       0.59843172       0.30313656 1.0 
      0.59843172       0.59843172       0.30313656 1.0 
      0.58948338       0.58948338       0.32103324 1.0 
      0.58053504       0.58053504       0.33892991 1.0 
      0.57158670       0.57158670       0.35682659 1.0 
      0.56263837       0.56263837       0.37472327 1.0 
      0.55369003       0.55369003       0.39261994 1.0 
      0.54474169       0.54474169       0.41051662 1.0 
      0.53579335       0.53579335       0.42841330 1.0 
      0.52684501       0.52684501       0.44630997 1.0 
      0.51789668       0.51789668       0.46420665 1.0 
      0.50894834       0.50894834       0.48210332 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.51036123       0.02113517       0.02113517 1.0 
      0.52072247       0.04227035       0.04227035 1.0 
      0.53108370       0.06340552       0.06340552 1.0 
      0.54144493       0.08454069       0.08454069 1.0 
      0.55180617       0.10567586       0.10567586 1.0 
      0.56216740       0.12681104       0.12681104 1.0 
      0.57252863       0.14794621       0.14794621 1.0 
      0.58288987       0.16908138       0.16908138 1.0 
      0.59325110       0.19021655       0.19021655 1.0 
      0.60361234       0.21135173       0.21135173 1.0 
      0.61397357       0.23248690       0.23248690 1.0 
      0.62433480       0.25362207       0.25362207 1.0 
      0.63469604       0.27475725       0.27475725 1.0 
      0.64505727       0.29589242       0.29589242 1.0 
      0.65541850       0.31702759       0.31702759 1.0 
      0.66577974       0.33816276       0.33816276 1.0 
      0.67614097       0.35929794       0.35929794 1.0 
      0.68650220       0.38043311       0.38043311 1.0 
      0.69686344       0.40156828       0.40156828 1.0 

