! Pwscf input file created with ciftopw.py 
! Compound: LiAuF4
&control
         calculation     = 'bands'
         prefix          = 'LiAuF4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.9863429756280997
         celldm(2)       =            0.7651389742862098
         celldm(3)       =            1.5835501111478978
         celldm(4)       =            0.0481350266664436
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       24
         ntyp            =        3
         ecutwfc         =      103.00000000
         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
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Li   6.9410 Li.rel-pbe-s-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
216
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.03125000 1.0 
      0.00000000       0.00000000       0.06250000 1.0 
      0.00000000       0.00000000       0.09375000 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.15625000 1.0 
      0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.21875000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.28125000 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.34375000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.40625000 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000       0.00000000       0.46875000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01529704       0.50152391 1.0 
      0.00000000       0.03059408       0.50304783 1.0 
      0.00000000       0.04589112       0.50457174 1.0 
      0.00000000       0.06118816       0.50609565 1.0 
      0.00000000       0.07648519       0.50761956 1.0 
      0.00000000       0.09178223       0.50914348 1.0 
      0.00000000       0.10707927       0.51066739 1.0 
      0.00000000       0.12237631       0.51219130 1.0 
      0.00000000       0.13767335       0.51371521 1.0 
      0.00000000       0.15297039       0.51523913 1.0 
      0.00000000       0.16826743       0.51676304 1.0 
      0.00000000       0.18356447       0.51828695 1.0 
      0.00000000       0.19886151       0.51981086 1.0 
      0.00000000       0.21415854       0.52133478 1.0 
      0.00000000       0.22945558       0.52285869 1.0 
      0.00000000       0.24475262       0.52438260 1.0 
      0.00000000       0.26004966       0.52590652 1.0 
      0.00000000       0.27534670       0.52743043 1.0 
      0.00000000       0.29064374       0.52895434 1.0 
      0.00000000       0.30594078       0.53047825 1.0 
      0.00000000       0.32123782       0.53200217 1.0 
      0.00000000       0.33653486       0.53352608 1.0 
      0.00000000       0.35183189       0.53504999 1.0 
      0.00000000       0.36712893       0.53657390 1.0 
      0.00000000       0.38242597       0.53809782 1.0 
      0.00000000       0.39772301       0.53962173 1.0 
      0.00000000       0.41302005       0.54114564 1.0 
      0.00000000       0.42831709       0.54266955 1.0 
      0.00000000       0.44361413       0.54419347 1.0 
      0.00000000       0.45891117       0.54571738 1.0 
      0.00000000       0.47420821       0.54724129 1.0 
      0.00000000       0.48950524       0.54876520 1.0 
      0.00000000       0.48950524       0.54876520 1.0 
      0.00000000       0.49475262       0.52438260 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02000000       0.50000000       0.50000000 1.0 
      0.04000000       0.50000000       0.50000000 1.0 
      0.06000000       0.50000000       0.50000000 1.0 
      0.08000000       0.50000000       0.50000000 1.0 
      0.10000000       0.50000000       0.50000000 1.0 
      0.12000000       0.50000000       0.50000000 1.0 
      0.14000000       0.50000000       0.50000000 1.0 
      0.16000000       0.50000000       0.50000000 1.0 
      0.18000000       0.50000000       0.50000000 1.0 
      0.20000000       0.50000000       0.50000000 1.0 
      0.22000000       0.50000000       0.50000000 1.0 
      0.24000000       0.50000000       0.50000000 1.0 
      0.26000000       0.50000000       0.50000000 1.0 
      0.28000000       0.50000000       0.50000000 1.0 
      0.30000000       0.50000000       0.50000000 1.0 
      0.32000000       0.50000000       0.50000000 1.0 
      0.34000000       0.50000000       0.50000000 1.0 
      0.36000000       0.50000000       0.50000000 1.0 
      0.38000000       0.50000000       0.50000000 1.0 
      0.40000000       0.50000000       0.50000000 1.0 
      0.42000000       0.50000000       0.50000000 1.0 
      0.44000000       0.50000000       0.50000000 1.0 
      0.46000000       0.50000000       0.50000000 1.0 
      0.48000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50524738       0.47561740 1.0 
      0.50000000       0.51049476       0.45123480 1.0 
      0.50000000       0.51049476       0.45123480 1.0 
      0.50000000       0.50979510       0.42115248 1.0 
      0.50000000       0.50909545       0.39107016 1.0 
      0.50000000       0.50839580       0.36098784 1.0 
      0.50000000       0.50769615       0.33090552 1.0 
      0.50000000       0.50699650       0.30082320 1.0 
      0.50000000       0.50629685       0.27074088 1.0 
      0.50000000       0.50559720       0.24065856 1.0 
      0.50000000       0.50489755       0.21057624 1.0 
      0.50000000       0.50419790       0.18049392 1.0 
      0.50000000       0.50349825       0.15041160 1.0 
      0.50000000       0.50279860       0.12032928 1.0 
      0.50000000       0.50209895       0.09024696 1.0 
      0.50000000       0.50139930       0.06016464 1.0 
      0.50000000       0.50069965       0.03008232 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48000000       0.50000000       0.00000000 1.0 
      0.46000000       0.50000000       0.00000000 1.0 
      0.44000000       0.50000000       0.00000000 1.0 
      0.42000000       0.50000000       0.00000000 1.0 
      0.40000000       0.50000000       0.00000000 1.0 
      0.38000000       0.50000000       0.00000000 1.0 
      0.36000000       0.50000000       0.00000000 1.0 
      0.34000000       0.50000000       0.00000000 1.0 
      0.32000000       0.50000000       0.00000000 1.0 
      0.30000000       0.50000000       0.00000000 1.0 
      0.28000000       0.50000000       0.00000000 1.0 
      0.26000000       0.50000000       0.00000000 1.0 
      0.24000000       0.50000000       0.00000000 1.0 
      0.22000000       0.50000000       0.00000000 1.0 
      0.20000000       0.50000000       0.00000000 1.0 
      0.18000000       0.50000000       0.00000000 1.0 
      0.16000000       0.50000000       0.00000000 1.0 
      0.14000000       0.50000000       0.00000000 1.0 
      0.12000000       0.50000000       0.00000000 1.0 
      0.10000000       0.50000000       0.00000000 1.0 
      0.08000000       0.50000000       0.00000000 1.0 
      0.06000000       0.50000000       0.00000000 1.0 
      0.04000000       0.50000000       0.00000000 1.0 
      0.02000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50069965       0.03008232 1.0 
      0.00000000       0.50139930       0.06016464 1.0 
      0.00000000       0.50209895       0.09024696 1.0 
      0.00000000       0.50279860       0.12032928 1.0 
      0.00000000       0.50349825       0.15041160 1.0 
      0.00000000       0.50419790       0.18049392 1.0 
      0.00000000       0.50489755       0.21057624 1.0 
      0.00000000       0.50559720       0.24065856 1.0 
      0.00000000       0.50629685       0.27074088 1.0 
      0.00000000       0.50699650       0.30082320 1.0 
      0.00000000       0.50769615       0.33090552 1.0 
      0.00000000       0.50839580       0.36098784 1.0 
      0.00000000       0.50909545       0.39107016 1.0 
      0.00000000       0.50979510       0.42115248 1.0 
      0.00000000       0.51049476       0.45123480 1.0 
      0.50000000       0.48950524       0.54876520 1.0 
      0.50000000       0.47420821       0.54724129 1.0 
      0.50000000       0.45891117       0.54571738 1.0 
      0.50000000       0.44361413       0.54419347 1.0 
      0.50000000       0.42831709       0.54266955 1.0 
      0.50000000       0.41302005       0.54114564 1.0 
      0.50000000       0.39772301       0.53962173 1.0 
      0.50000000       0.38242597       0.53809782 1.0 
      0.50000000       0.36712893       0.53657390 1.0 
      0.50000000       0.35183189       0.53504999 1.0 
      0.50000000       0.33653486       0.53352608 1.0 
      0.50000000       0.32123782       0.53200217 1.0 
      0.50000000       0.30594078       0.53047825 1.0 
      0.50000000       0.29064374       0.52895434 1.0 
      0.50000000       0.27534670       0.52743043 1.0 
      0.50000000       0.26004966       0.52590652 1.0 
      0.50000000       0.24475262       0.52438260 1.0 
      0.50000000       0.22945558       0.52285869 1.0 
      0.50000000       0.21415854       0.52133478 1.0 
      0.50000000       0.19886151       0.51981086 1.0 
      0.50000000       0.18356447       0.51828695 1.0 
      0.50000000       0.16826743       0.51676304 1.0 
      0.50000000       0.15297039       0.51523913 1.0 
      0.50000000       0.13767335       0.51371521 1.0 
      0.50000000       0.12237631       0.51219130 1.0 
      0.50000000       0.10707927       0.51066739 1.0 
      0.50000000       0.09178223       0.50914348 1.0 
      0.50000000       0.07648519       0.50761956 1.0 
      0.50000000       0.06118816       0.50609565 1.0 
      0.50000000       0.04589112       0.50457174 1.0 
      0.50000000       0.03059408       0.50304783 1.0 
      0.50000000       0.01529704       0.50152391 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.46875000 1.0 
      0.50000000       0.00000000       0.43750000 1.0 
      0.50000000       0.00000000       0.40625000 1.0 
      0.50000000       0.00000000       0.37500000 1.0 
      0.50000000       0.00000000       0.34375000 1.0 
      0.50000000       0.00000000       0.31250000 1.0 
      0.50000000       0.00000000       0.28125000 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.21875000 1.0 
      0.50000000       0.00000000       0.18750000 1.0 
      0.50000000       0.00000000       0.15625000 1.0 
      0.50000000       0.00000000       0.12500000 1.0 
      0.50000000       0.00000000       0.09375000 1.0 
      0.50000000       0.00000000       0.06250000 1.0 
      0.50000000       0.00000000       0.03125000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02000000       0.00000000       0.50000000 1.0 
      0.04000000       0.00000000       0.50000000 1.0 
      0.06000000       0.00000000       0.50000000 1.0 
      0.08000000       0.00000000       0.50000000 1.0 
      0.10000000       0.00000000       0.50000000 1.0 
      0.12000000       0.00000000       0.50000000 1.0 
      0.14000000       0.00000000       0.50000000 1.0 
      0.16000000       0.00000000       0.50000000 1.0 
      0.18000000       0.00000000       0.50000000 1.0 
      0.20000000       0.00000000       0.50000000 1.0 
      0.22000000       0.00000000       0.50000000 1.0 
      0.24000000       0.00000000       0.50000000 1.0 
      0.26000000       0.00000000       0.50000000 1.0 
      0.28000000       0.00000000       0.50000000 1.0 
      0.30000000       0.00000000       0.50000000 1.0 
      0.32000000       0.00000000       0.50000000 1.0 
      0.34000000       0.00000000       0.50000000 1.0 
      0.36000000       0.00000000       0.50000000 1.0 
      0.38000000       0.00000000       0.50000000 1.0 
      0.40000000       0.00000000       0.50000000 1.0 
      0.42000000       0.00000000       0.50000000 1.0 
      0.44000000       0.00000000       0.50000000 1.0 
      0.46000000       0.00000000       0.50000000 1.0 
      0.48000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

