! Pwscf input file created with ciftopw.py 
! Compound: Ba2P7Br
&control
         calculation     = 'bands'
         prefix          = 'Ba2P7Br'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.9164661074138998
         celldm(2)       =            0.9208497315328233
         celldm(3)       =            1.7336981170721717
         celldm(4)       =            0.1013862065571154
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        3
         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
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 P  30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
184
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.03571429 1.0 
      0.00000000       0.00000000       0.07142857 1.0 
      0.00000000       0.00000000       0.10714286 1.0 
      0.00000000       0.00000000       0.14285714 1.0 
      0.00000000       0.00000000       0.17857143 1.0 
      0.00000000       0.00000000       0.21428571 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.28571429 1.0 
      0.00000000       0.00000000       0.32142857 1.0 
      0.00000000       0.00000000       0.35714286 1.0 
      0.00000000       0.00000000       0.39285714 1.0 
      0.00000000       0.00000000       0.42857143 1.0 
      0.00000000       0.00000000       0.46428571 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01991616       0.50380162 1.0 
      0.00000000       0.03983232       0.50760325 1.0 
      0.00000000       0.05974847       0.51140487 1.0 
      0.00000000       0.07966463       0.51520650 1.0 
      0.00000000       0.09958079       0.51900812 1.0 
      0.00000000       0.11949695       0.52280974 1.0 
      0.00000000       0.13941311       0.52661137 1.0 
      0.00000000       0.15932926       0.53041299 1.0 
      0.00000000       0.17924542       0.53421461 1.0 
      0.00000000       0.19916158       0.53801624 1.0 
      0.00000000       0.21907774       0.54181786 1.0 
      0.00000000       0.23899390       0.54561949 1.0 
      0.00000000       0.25891005       0.54942111 1.0 
      0.00000000       0.27882621       0.55322273 1.0 
      0.00000000       0.29874237       0.55702436 1.0 
      0.00000000       0.31865853       0.56082598 1.0 
      0.00000000       0.33857468       0.56462761 1.0 
      0.00000000       0.35849084       0.56842923 1.0 
      0.00000000       0.37840700       0.57223085 1.0 
      0.00000000       0.39832316       0.57603248 1.0 
      0.00000000       0.41823932       0.57983410 1.0 
      0.00000000       0.43815547       0.58363573 1.0 
      0.00000000       0.45807163       0.58743735 1.0 
      0.00000000       0.47798779       0.59123897 1.0 
      0.00000000       0.47798779       0.59123897 1.0 
      0.00000000       0.48532519       0.56082598 1.0 
      0.00000000       0.49266260       0.53041299 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       0.50733740       0.46958701 1.0 
      0.50000000       0.51467481       0.43917402 1.0 
      0.50000000       0.52201221       0.40876103 1.0 
      0.50000000       0.52201221       0.40876103 1.0 
      0.50000000       0.52001110       0.37160093 1.0 
      0.50000000       0.51800999       0.33444084 1.0 
      0.50000000       0.51600888       0.29728075 1.0 
      0.50000000       0.51400777       0.26012065 1.0 
      0.50000000       0.51200666       0.22296056 1.0 
      0.50000000       0.51000555       0.18580047 1.0 
      0.50000000       0.50800444       0.14864037 1.0 
      0.50000000       0.50600333       0.11148028 1.0 
      0.50000000       0.50400222       0.07432019 1.0 
      0.50000000       0.50200111       0.03716009 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       0.50200111       0.03716009 1.0 
      0.00000000       0.50400222       0.07432019 1.0 
      0.00000000       0.50600333       0.11148028 1.0 
      0.00000000       0.50800444       0.14864037 1.0 
      0.00000000       0.51000555       0.18580047 1.0 
      0.00000000       0.51200666       0.22296056 1.0 
      0.00000000       0.51400777       0.26012065 1.0 
      0.00000000       0.51600888       0.29728075 1.0 
      0.00000000       0.51800999       0.33444084 1.0 
      0.00000000       0.52001110       0.37160093 1.0 
      0.00000000       0.52201221       0.40876103 1.0 
      0.50000000       0.47798779       0.59123897 1.0 
      0.50000000       0.45807163       0.58743735 1.0 
      0.50000000       0.43815547       0.58363573 1.0 
      0.50000000       0.41823932       0.57983410 1.0 
      0.50000000       0.39832316       0.57603248 1.0 
      0.50000000       0.37840700       0.57223085 1.0 
      0.50000000       0.35849084       0.56842923 1.0 
      0.50000000       0.33857468       0.56462761 1.0 
      0.50000000       0.31865853       0.56082598 1.0 
      0.50000000       0.29874237       0.55702436 1.0 
      0.50000000       0.27882621       0.55322273 1.0 
      0.50000000       0.25891005       0.54942111 1.0 
      0.50000000       0.23899390       0.54561949 1.0 
      0.50000000       0.21907774       0.54181786 1.0 
      0.50000000       0.19916158       0.53801624 1.0 
      0.50000000       0.17924542       0.53421461 1.0 
      0.50000000       0.15932926       0.53041299 1.0 
      0.50000000       0.13941311       0.52661137 1.0 
      0.50000000       0.11949695       0.52280974 1.0 
      0.50000000       0.09958079       0.51900812 1.0 
      0.50000000       0.07966463       0.51520650 1.0 
      0.50000000       0.05974847       0.51140487 1.0 
      0.50000000       0.03983232       0.50760325 1.0 
      0.50000000       0.01991616       0.50380162 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.46428571 1.0 
      0.50000000       0.00000000       0.42857143 1.0 
      0.50000000       0.00000000       0.39285714 1.0 
      0.50000000       0.00000000       0.35714286 1.0 
      0.50000000       0.00000000       0.32142857 1.0 
      0.50000000       0.00000000       0.28571429 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.21428571 1.0 
      0.50000000       0.00000000       0.17857143 1.0 
      0.50000000       0.00000000       0.14285714 1.0 
      0.50000000       0.00000000       0.10714286 1.0 
      0.50000000       0.00000000       0.07142857 1.0 
      0.50000000       0.00000000       0.03571429 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 

