! Pwscf input file created with ciftopw.py 
! Compound: Ba2Br2O
&control
         calculation     = 'bands'
         prefix          = 'Ba2Br2O'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           15.3560218678628040
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.6727276851531075
         celldm(5)       =           -0.6026117002700574
         celldm(6)       =            0.2753393854231648
         nat             =       10
         ntyp            =        3
         ecutwfc         =       50.00000000
         ecutrho         =      324.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
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 
ATOMIC_POSITIONS crystal
K_POINTS crystal
261
      0.00000000       0.00000000       0.00000000 1.0 
     -0.01013400       0.01013400       0.01013400 1.0 
     -0.02026800       0.02026800       0.02026800 1.0 
     -0.03040200       0.03040200       0.03040200 1.0 
     -0.04053600       0.04053600       0.04053600 1.0 
     -0.05066999       0.05066999       0.05066999 1.0 
     -0.06080399       0.06080399       0.06080399 1.0 
     -0.07093799       0.07093799       0.07093799 1.0 
     -0.08107199       0.08107199       0.08107199 1.0 
     -0.09120599       0.09120599       0.09120599 1.0 
     -0.10133999       0.10133999       0.10133999 1.0 
     -0.11147399       0.11147399       0.11147399 1.0 
     -0.12160799       0.12160799       0.12160799 1.0 
     -0.13174199       0.13174199       0.13174199 1.0 
     -0.14187598       0.14187598       0.14187598 1.0 
     -0.15200998       0.15200998       0.15200998 1.0 
     -0.16214398       0.16214398       0.16214398 1.0 
     -0.17227798       0.17227798       0.17227798 1.0 
     -0.18241198       0.18241198       0.18241198 1.0 
     -0.19254598       0.19254598       0.19254598 1.0 
     -0.20267998       0.20267998       0.20267998 1.0 
     -0.21281398       0.21281398       0.21281398 1.0 
     -0.22294798       0.22294798       0.22294798 1.0 
     -0.23308197       0.23308197       0.23308197 1.0 
     -0.24321597       0.24321597       0.24321597 1.0 
     -0.25334997       0.25334997       0.25334997 1.0 
     -0.26348397       0.26348397       0.26348397 1.0 
     -0.27361797       0.27361797       0.27361797 1.0 
     -0.28375197       0.28375197       0.28375197 1.0 
     -0.29388597       0.29388597       0.29388597 1.0 
     -0.30401997       0.30401997       0.30401997 1.0 
     -0.31415397       0.31415397       0.31415397 1.0 
     -0.31415397       0.31415397       0.31415397 1.0 
     -0.30268053       0.30268053       0.32562740 1.0 
     -0.29120710       0.29120710       0.33710083 1.0 
     -0.27973367       0.27973367       0.34857426 1.0 
     -0.26826024       0.26826024       0.36004769 1.0 
     -0.25678681       0.25678681       0.37152112 1.0 
     -0.24531338       0.24531338       0.38299455 1.0 
     -0.23383995       0.23383995       0.39446798 1.0 
     -0.22236652       0.22236652       0.40594141 1.0 
     -0.21089309       0.21089309       0.41741484 1.0 
     -0.19941966       0.19941966       0.42888827 1.0 
     -0.18794623       0.18794623       0.44036170 1.0 
     -0.17647280       0.17647280       0.45183513 1.0 
     -0.16499937       0.16499937       0.46330856 1.0 
     -0.15352594       0.15352594       0.47478200 1.0 
     -0.14205250       0.14205250       0.48625543 1.0 
     -0.14205250       0.14205250       0.48625543 1.0 
     -0.12784725       0.12784725       0.48762988 1.0 
     -0.11364200       0.11364200       0.48900434 1.0 
     -0.09943675       0.09943675       0.49037880 1.0 
     -0.08523150       0.08523150       0.49175326 1.0 
     -0.07102625       0.07102625       0.49312771 1.0 
     -0.05682100       0.05682100       0.49450217 1.0 
     -0.04261575       0.04261575       0.49587663 1.0 
     -0.02841050       0.02841050       0.49725109 1.0 
     -0.01420525       0.01420525       0.49862554 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.01923077       0.01923077       0.48076923 1.0 
      0.03846154       0.03846154       0.46153846 1.0 
      0.05769231       0.05769231       0.44230769 1.0 
      0.07692308       0.07692308       0.42307692 1.0 
      0.09615385       0.09615385       0.40384615 1.0 
      0.11538462       0.11538462       0.38461538 1.0 
      0.13461538       0.13461538       0.36538462 1.0 
      0.15384615       0.15384615       0.34615385 1.0 
      0.17307692       0.17307692       0.32692308 1.0 
      0.19230769       0.19230769       0.30769231 1.0 
      0.21153846       0.21153846       0.28846154 1.0 
      0.23076923       0.23076923       0.26923077 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23863636       0.26136364       0.23863636 1.0 
      0.22727273       0.27272727       0.22727273 1.0 
      0.21590909       0.28409091       0.21590909 1.0 
      0.20454545       0.29545455       0.20454545 1.0 
      0.19318182       0.30681818       0.19318182 1.0 
      0.18181818       0.31818182       0.18181818 1.0 
      0.17045455       0.32954545       0.17045455 1.0 
      0.15909091       0.34090909       0.15909091 1.0 
      0.14772727       0.35227273       0.14772727 1.0 
      0.13636364       0.36363636       0.13636364 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.11363636       0.38636364       0.11363636 1.0 
      0.10227273       0.39772727       0.10227273 1.0 
      0.09090909       0.40909091       0.09090909 1.0 
      0.07954545       0.42045455       0.07954545 1.0 
      0.06818182       0.43181818       0.06818182 1.0 
      0.05681818       0.44318182       0.05681818 1.0 
      0.04545455       0.45454545       0.04545455 1.0 
      0.03409091       0.46590909       0.03409091 1.0 
      0.02272727       0.47727273       0.02272727 1.0 
      0.01136364       0.48863636       0.01136364 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.02243957       0.51327472      -0.02243957 1.0 
      0.04487914       0.52654943      -0.04487914 1.0 
      0.06731871       0.53982415      -0.06731871 1.0 
      0.08975828       0.55309887      -0.08975828 1.0 
      0.11219784       0.56637358      -0.11219784 1.0 
      0.13463741       0.57964830      -0.13463741 1.0 
      0.15707698       0.59292302      -0.15707698 1.0 
      0.17951655       0.60619773      -0.17951655 1.0 
      0.20195612       0.61947245      -0.20195612 1.0 
      0.22439569       0.63274717      -0.22439569 1.0 
      0.24683526       0.64602188      -0.24683526 1.0 
      0.26927483       0.65929660      -0.26927483 1.0 
      0.29171440       0.67257132      -0.29171440 1.0 
      0.31415397       0.68584603      -0.31415397 1.0 
      0.31415397       0.68584603      -0.31415397 1.0 
      0.32447875       0.67552125      -0.32447875 1.0 
      0.33480352       0.66519648      -0.33480352 1.0 
      0.34512830       0.65487170      -0.34512830 1.0 
      0.35545308       0.64454692      -0.35545308 1.0 
      0.36577786       0.63422214      -0.36577786 1.0 
      0.37610264       0.62389736      -0.37610264 1.0 
      0.38642742       0.61357258      -0.38642742 1.0 
      0.39675220       0.60324780      -0.39675220 1.0 
      0.40707698       0.59292302      -0.40707698 1.0 
      0.41740176       0.58259824      -0.41740176 1.0 
      0.42772654       0.57227346      -0.42772654 1.0 
      0.43805132       0.56194868      -0.43805132 1.0 
      0.44837610       0.55162390      -0.44837610 1.0 
      0.45870088       0.54129912      -0.45870088 1.0 
      0.46902566       0.53097434      -0.46902566 1.0 
      0.47935044       0.52064956      -0.47935044 1.0 
      0.48967522       0.51032478      -0.48967522 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 
      0.01130685      -0.01130685       0.01130685 1.0 
      0.02261369      -0.02261369       0.02261369 1.0 
      0.03392054      -0.03392054       0.03392054 1.0 
      0.04522738      -0.04522738       0.04522738 1.0 
      0.05653423      -0.05653423       0.05653423 1.0 
      0.06784108      -0.06784108       0.06784108 1.0 
      0.07914792      -0.07914792       0.07914792 1.0 
      0.09045477      -0.09045477       0.09045477 1.0 
      0.10176162      -0.10176162       0.10176162 1.0 
      0.11306846      -0.11306846       0.11306846 1.0 
      0.12437531      -0.12437531       0.12437531 1.0 
      0.13568215      -0.13568215       0.13568215 1.0 
      0.14698900      -0.14698900       0.14698900 1.0 
      0.15829585      -0.15829585       0.15829585 1.0 
      0.16960269      -0.16960269       0.16960269 1.0 
      0.18090954      -0.18090954       0.18090954 1.0 
      0.19221638      -0.19221638       0.19221638 1.0 
      0.20352323      -0.20352323       0.20352323 1.0 
      0.21483008      -0.21483008       0.21483008 1.0 
      0.22613692      -0.22613692       0.22613692 1.0 
      0.23744377      -0.23744377       0.23744377 1.0 
      0.24875062      -0.24875062       0.24875062 1.0 
      0.26005746      -0.26005746       0.26005746 1.0 
      0.27136431      -0.27136431       0.27136431 1.0 
      0.28267115      -0.28267115       0.28267115 1.0 
      0.29397800      -0.29397800       0.29397800 1.0 
      0.30528485      -0.30528485       0.30528485 1.0 
      0.31659169      -0.31659169       0.31659169 1.0 
      0.32789854      -0.32789854       0.32789854 1.0 
      0.32789854      -0.32789854       0.32789854 1.0 
      0.34019150      -0.30447721       0.30447721 1.0 
      0.35248446      -0.28105589       0.28105589 1.0 
      0.36477742      -0.25763457       0.25763457 1.0 
      0.37707039      -0.23421324       0.23421324 1.0 
      0.38936335      -0.21079192       0.21079192 1.0 
      0.40165631      -0.18737059       0.18737059 1.0 
      0.41394927      -0.16394927       0.16394927 1.0 
      0.42624223      -0.14052795       0.14052795 1.0 
      0.43853519      -0.11710662       0.11710662 1.0 
      0.45082815      -0.09368530       0.09368530 1.0 
      0.46312112      -0.07026397       0.07026397 1.0 
      0.47541408      -0.04684265       0.04684265 1.0 
      0.48770704      -0.02342132       0.02342132 1.0 
      0.50000000      -0.00000000       0.00000000 1.0 
      0.50000000      -0.00000000       0.00000000 1.0 
      0.48958333       0.01041667       0.01041667 1.0 
      0.47916667       0.02083333       0.02083333 1.0 
      0.46875000       0.03125000       0.03125000 1.0 
      0.45833333       0.04166667       0.04166667 1.0 
      0.44791667       0.05208333       0.05208333 1.0 
      0.43750000       0.06250000       0.06250000 1.0 
      0.42708333       0.07291667       0.07291667 1.0 
      0.41666667       0.08333333       0.08333333 1.0 
      0.40625000       0.09375000       0.09375000 1.0 
      0.39583333       0.10416667       0.10416667 1.0 
      0.38541667       0.11458333       0.11458333 1.0 
      0.37500000       0.12500000       0.12500000 1.0 
      0.36458333       0.13541667       0.13541667 1.0 
      0.35416667       0.14583333       0.14583333 1.0 
      0.34375000       0.15625000       0.15625000 1.0 
      0.33333333       0.16666667       0.16666667 1.0 
      0.32291667       0.17708333       0.17708333 1.0 
      0.31250000       0.18750000       0.18750000 1.0 
      0.30208333       0.19791667       0.19791667 1.0 
      0.29166667       0.20833333       0.20833333 1.0 
      0.28125000       0.21875000       0.21875000 1.0 
      0.27083333       0.22916667       0.22916667 1.0 
      0.26041667       0.23958333       0.23958333 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.14205250      -0.14205250       0.51374457 1.0 
      0.15237728      -0.15237728       0.50341979 1.0 
      0.16270206      -0.16270206       0.49309501 1.0 
      0.17302684      -0.17302684       0.48277023 1.0 
      0.18335162      -0.18335162       0.47244545 1.0 
      0.19367640      -0.19367640       0.46212068 1.0 
      0.20400118      -0.20400118       0.45179590 1.0 
      0.21432596      -0.21432596       0.44147112 1.0 
      0.22465074      -0.22465074       0.43114634 1.0 
      0.23497552      -0.23497552       0.42082156 1.0 
      0.24530030      -0.24530030       0.41049678 1.0 
      0.25562508      -0.25562508       0.40017200 1.0 
      0.26594986      -0.26594986       0.38984722 1.0 
      0.27627464      -0.27627464       0.37952244 1.0 
      0.28659942      -0.28659942       0.36919766 1.0 
      0.29692420      -0.29692420       0.35887288 1.0 
      0.30724898      -0.30724898       0.34854810 1.0 
      0.31757376      -0.31757376       0.33822332 1.0 
      0.32789854      -0.32789854       0.32789854 1.0 
      0.67210146       0.32789854      -0.32789854 1.0 
      0.66062803       0.33937197      -0.33937197 1.0 
      0.64915460       0.35084540      -0.35084540 1.0 
      0.63768117       0.36231883      -0.36231883 1.0 
      0.62620774       0.37379226      -0.37379226 1.0 
      0.61473431       0.38526569      -0.38526569 1.0 
      0.60326088       0.39673912      -0.39673912 1.0 
      0.59178745       0.40821255      -0.40821255 1.0 
      0.58031402       0.41968598      -0.41968598 1.0 
      0.56884058       0.43115942      -0.43115942 1.0 
      0.55736715       0.44263285      -0.44263285 1.0 
      0.54589372       0.45410628      -0.45410628 1.0 
      0.53442029       0.46557971      -0.46557971 1.0 
      0.52294686       0.47705314      -0.47705314 1.0 
      0.51147343       0.48852657      -0.48852657 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 

