! Pwscf input file created with ciftopw.py 
! Compound: AlBr3
&control
         calculation     = 'bands'
         prefix          = 'AlBr3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.4076058919549990
         celldm(2)       =            1.0606060606060608
         celldm(3)       =            1.4518675123326281
         celldm(4)       =            0.1123361157615359
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       16
         ntyp            =        2
         ecutwfc         =       50.00000000
         ecutrho         =      244.00000000
         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
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Al  26.9815 Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
186
      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       0.02324173       0.50357405 1.0 
      0.00000000       0.04648345       0.50714810 1.0 
      0.00000000       0.06972518       0.51072215 1.0 
      0.00000000       0.09296690       0.51429620 1.0 
      0.00000000       0.11620863       0.51787025 1.0 
      0.00000000       0.13945035       0.52144430 1.0 
      0.00000000       0.16269208       0.52501835 1.0 
      0.00000000       0.18593381       0.52859240 1.0 
      0.00000000       0.20917553       0.53216645 1.0 
      0.00000000       0.23241726       0.53574050 1.0 
      0.00000000       0.25565898       0.53931455 1.0 
      0.00000000       0.27890071       0.54288860 1.0 
      0.00000000       0.30214244       0.54646265 1.0 
      0.00000000       0.32538416       0.55003670 1.0 
      0.00000000       0.34862589       0.55361075 1.0 
      0.00000000       0.37186761       0.55718480 1.0 
      0.00000000       0.39510934       0.56075885 1.0 
      0.00000000       0.41835106       0.56433291 1.0 
      0.00000000       0.44159279       0.56790696 1.0 
      0.00000000       0.46483452       0.57148101 1.0 
      0.00000000       0.46483452       0.57148101 1.0 
      0.00000000       0.47655634       0.54765400 1.0 
      0.00000000       0.48827817       0.52382700 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02173913       0.50000000       0.50000000 1.0 
      0.04347826       0.50000000       0.50000000 1.0 
      0.06521739       0.50000000       0.50000000 1.0 
      0.08695652       0.50000000       0.50000000 1.0 
      0.10869565       0.50000000       0.50000000 1.0 
      0.13043478       0.50000000       0.50000000 1.0 
      0.15217391       0.50000000       0.50000000 1.0 
      0.17391304       0.50000000       0.50000000 1.0 
      0.19565217       0.50000000       0.50000000 1.0 
      0.21739130       0.50000000       0.50000000 1.0 
      0.23913043       0.50000000       0.50000000 1.0 
      0.26086957       0.50000000       0.50000000 1.0 
      0.28260870       0.50000000       0.50000000 1.0 
      0.30434783       0.50000000       0.50000000 1.0 
      0.32608696       0.50000000       0.50000000 1.0 
      0.34782609       0.50000000       0.50000000 1.0 
      0.36956522       0.50000000       0.50000000 1.0 
      0.39130435       0.50000000       0.50000000 1.0 
      0.41304348       0.50000000       0.50000000 1.0 
      0.43478261       0.50000000       0.50000000 1.0 
      0.45652174       0.50000000       0.50000000 1.0 
      0.47826087       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.51172183       0.47617300 1.0 
      0.50000000       0.52344366       0.45234600 1.0 
      0.50000000       0.53516548       0.42851899 1.0 
      0.50000000       0.53516548       0.42851899 1.0 
      0.50000000       0.53265366       0.39791049 1.0 
      0.50000000       0.53014184       0.36730199 1.0 
      0.50000000       0.52763002       0.33669350 1.0 
      0.50000000       0.52511820       0.30608500 1.0 
      0.50000000       0.52260638       0.27547650 1.0 
      0.50000000       0.52009456       0.24486800 1.0 
      0.50000000       0.51758274       0.21425950 1.0 
      0.50000000       0.51507092       0.18365100 1.0 
      0.50000000       0.51255910       0.15304250 1.0 
      0.50000000       0.51004728       0.12243400 1.0 
      0.50000000       0.50753546       0.09182550 1.0 
      0.50000000       0.50502364       0.06121700 1.0 
      0.50000000       0.50251182       0.03060850 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.47826087       0.50000000       0.00000000 1.0 
      0.45652174       0.50000000       0.00000000 1.0 
      0.43478261       0.50000000       0.00000000 1.0 
      0.41304348       0.50000000       0.00000000 1.0 
      0.39130435       0.50000000       0.00000000 1.0 
      0.36956522       0.50000000       0.00000000 1.0 
      0.34782609       0.50000000       0.00000000 1.0 
      0.32608696       0.50000000       0.00000000 1.0 
      0.30434783       0.50000000       0.00000000 1.0 
      0.28260870       0.50000000       0.00000000 1.0 
      0.26086957       0.50000000       0.00000000 1.0 
      0.23913043       0.50000000       0.00000000 1.0 
      0.21739130       0.50000000       0.00000000 1.0 
      0.19565217       0.50000000       0.00000000 1.0 
      0.17391304       0.50000000       0.00000000 1.0 
      0.15217391       0.50000000       0.00000000 1.0 
      0.13043478       0.50000000       0.00000000 1.0 
      0.10869565       0.50000000       0.00000000 1.0 
      0.08695652       0.50000000       0.00000000 1.0 
      0.06521739       0.50000000       0.00000000 1.0 
      0.04347826       0.50000000       0.00000000 1.0 
      0.02173913       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50251182       0.03060850 1.0 
      0.00000000       0.50502364       0.06121700 1.0 
      0.00000000       0.50753546       0.09182550 1.0 
      0.00000000       0.51004728       0.12243400 1.0 
      0.00000000       0.51255910       0.15304250 1.0 
      0.00000000       0.51507092       0.18365100 1.0 
      0.00000000       0.51758274       0.21425950 1.0 
      0.00000000       0.52009456       0.24486800 1.0 
      0.00000000       0.52260638       0.27547650 1.0 
      0.00000000       0.52511820       0.30608500 1.0 
      0.00000000       0.52763002       0.33669350 1.0 
      0.00000000       0.53014184       0.36730199 1.0 
      0.00000000       0.53265366       0.39791049 1.0 
      0.00000000       0.53516548       0.42851899 1.0 
      0.50000000       0.46483452       0.57148101 1.0 
      0.50000000       0.44159279       0.56790696 1.0 
      0.50000000       0.41835106       0.56433291 1.0 
      0.50000000       0.39510934       0.56075885 1.0 
      0.50000000       0.37186761       0.55718480 1.0 
      0.50000000       0.34862589       0.55361075 1.0 
      0.50000000       0.32538416       0.55003670 1.0 
      0.50000000       0.30214244       0.54646265 1.0 
      0.50000000       0.27890071       0.54288860 1.0 
      0.50000000       0.25565898       0.53931455 1.0 
      0.50000000       0.23241726       0.53574050 1.0 
      0.50000000       0.20917553       0.53216645 1.0 
      0.50000000       0.18593381       0.52859240 1.0 
      0.50000000       0.16269208       0.52501835 1.0 
      0.50000000       0.13945035       0.52144430 1.0 
      0.50000000       0.11620863       0.51787025 1.0 
      0.50000000       0.09296690       0.51429620 1.0 
      0.50000000       0.06972518       0.51072215 1.0 
      0.50000000       0.04648345       0.50714810 1.0 
      0.50000000       0.02324173       0.50357405 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 
      0.02173913       0.00000000       0.50000000 1.0 
      0.04347826       0.00000000       0.50000000 1.0 
      0.06521739       0.00000000       0.50000000 1.0 
      0.08695652       0.00000000       0.50000000 1.0 
      0.10869565       0.00000000       0.50000000 1.0 
      0.13043478       0.00000000       0.50000000 1.0 
      0.15217391       0.00000000       0.50000000 1.0 
      0.17391304       0.00000000       0.50000000 1.0 
      0.19565217       0.00000000       0.50000000 1.0 
      0.21739130       0.00000000       0.50000000 1.0 
      0.23913043       0.00000000       0.50000000 1.0 
      0.26086957       0.00000000       0.50000000 1.0 
      0.28260870       0.00000000       0.50000000 1.0 
      0.30434783       0.00000000       0.50000000 1.0 
      0.32608696       0.00000000       0.50000000 1.0 
      0.34782609       0.00000000       0.50000000 1.0 
      0.36956522       0.00000000       0.50000000 1.0 
      0.39130435       0.00000000       0.50000000 1.0 
      0.41304348       0.00000000       0.50000000 1.0 
      0.43478261       0.00000000       0.50000000 1.0 
      0.45652174       0.00000000       0.50000000 1.0 
      0.47826087       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

