! Pwscf input file created with ciftopw.py 
! Compound: Rb4Br2O
&control
         calculation     = 'bands'
         prefix          = 'Rb4Br2O'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           17.8485788106116416
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.8338896754732442
         celldm(5)       =           -0.8338896754732442
         celldm(6)       =            0.6677793509464883
         nat             =        7
         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 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Rb  85.4678 Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
256
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01219512 1.0 
      0.00000000       0.00000000       0.02439024 1.0 
      0.00000000       0.00000000       0.03658537 1.0 
      0.00000000       0.00000000       0.04878049 1.0 
      0.00000000       0.00000000       0.06097561 1.0 
      0.00000000       0.00000000       0.07317073 1.0 
      0.00000000       0.00000000       0.08536585 1.0 
      0.00000000       0.00000000       0.09756098 1.0 
      0.00000000       0.00000000       0.10975610 1.0 
      0.00000000       0.00000000       0.12195122 1.0 
      0.00000000       0.00000000       0.13414634 1.0 
      0.00000000       0.00000000       0.14634146 1.0 
      0.00000000       0.00000000       0.15853659 1.0 
      0.00000000       0.00000000       0.17073171 1.0 
      0.00000000       0.00000000       0.18292683 1.0 
      0.00000000       0.00000000       0.19512195 1.0 
      0.00000000       0.00000000       0.20731707 1.0 
      0.00000000       0.00000000       0.21951220 1.0 
      0.00000000       0.00000000       0.23170732 1.0 
      0.00000000       0.00000000       0.24390244 1.0 
      0.00000000       0.00000000       0.25609756 1.0 
      0.00000000       0.00000000       0.26829268 1.0 
      0.00000000       0.00000000       0.28048780 1.0 
      0.00000000       0.00000000       0.29268293 1.0 
      0.00000000       0.00000000       0.30487805 1.0 
      0.00000000       0.00000000       0.31707317 1.0 
      0.00000000       0.00000000       0.32926829 1.0 
      0.00000000       0.00000000       0.34146341 1.0 
      0.00000000       0.00000000       0.35365854 1.0 
      0.00000000       0.00000000       0.36585366 1.0 
      0.00000000       0.00000000       0.37804878 1.0 
      0.00000000       0.00000000       0.39024390 1.0 
      0.00000000       0.00000000       0.40243902 1.0 
      0.00000000       0.00000000       0.41463415 1.0 
      0.00000000       0.00000000       0.42682927 1.0 
      0.00000000       0.00000000       0.43902439 1.0 
      0.00000000       0.00000000       0.45121951 1.0 
      0.00000000       0.00000000       0.46341463 1.0 
      0.00000000       0.00000000       0.47560976 1.0 
      0.00000000       0.00000000       0.48780488 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.00995997       0.00995997       0.50000000 1.0 
     -0.01991994       0.01991994       0.50000000 1.0 
     -0.02987991       0.02987991       0.50000000 1.0 
     -0.03983988       0.03983988       0.50000000 1.0 
     -0.04979985       0.04979985       0.50000000 1.0 
     -0.04979985       0.04979985       0.50000000 1.0 
     -0.05845755       0.05845755       0.49134230 1.0 
     -0.06711524       0.06711524       0.48268461 1.0 
     -0.07577294       0.07577294       0.47402691 1.0 
     -0.08443063       0.08443063       0.46536922 1.0 
     -0.09308833       0.09308833       0.45671152 1.0 
     -0.10174602       0.10174602       0.44805383 1.0 
     -0.11040372       0.11040372       0.43939613 1.0 
     -0.11906141       0.11906141       0.43073844 1.0 
     -0.12771911       0.12771911       0.42208074 1.0 
     -0.13637680       0.13637680       0.41342305 1.0 
     -0.14503450       0.14503450       0.40476535 1.0 
     -0.15369219       0.15369219       0.39610766 1.0 
     -0.16234989       0.16234989       0.38744996 1.0 
     -0.17100758       0.17100758       0.37879227 1.0 
     -0.17966528       0.17966528       0.37013457 1.0 
     -0.18832297       0.18832297       0.36147688 1.0 
     -0.19698067       0.19698067       0.35281918 1.0 
     -0.20563836       0.20563836       0.34416149 1.0 
     -0.21429606       0.21429606       0.33550379 1.0 
     -0.22295375       0.22295375       0.32684610 1.0 
     -0.23161145       0.23161145       0.31818840 1.0 
     -0.24026914       0.24026914       0.30953071 1.0 
     -0.24892684       0.24892684       0.30087301 1.0 
     -0.25758453       0.25758453       0.29221532 1.0 
     -0.26624223       0.26624223       0.28355762 1.0 
     -0.27489993       0.27489993       0.27489993 1.0 
     -0.27489993       0.27489993       0.27489993 1.0 
     -0.26630930       0.26630930       0.26630930 1.0 
     -0.25771868       0.25771868       0.25771868 1.0 
     -0.24912806       0.24912806       0.24912806 1.0 
     -0.24053743       0.24053743       0.24053743 1.0 
     -0.23194681       0.23194681       0.23194681 1.0 
     -0.22335619       0.22335619       0.22335619 1.0 
     -0.21476557       0.21476557       0.21476557 1.0 
     -0.20617494       0.20617494       0.20617494 1.0 
     -0.19758432       0.19758432       0.19758432 1.0 
     -0.18899370       0.18899370       0.18899370 1.0 
     -0.18040308       0.18040308       0.18040308 1.0 
     -0.17181245       0.17181245       0.17181245 1.0 
     -0.16322183       0.16322183       0.16322183 1.0 
     -0.15463121       0.15463121       0.15463121 1.0 
     -0.14604059       0.14604059       0.14604059 1.0 
     -0.13744996       0.13744996       0.13744996 1.0 
     -0.12885934       0.12885934       0.12885934 1.0 
     -0.12026872       0.12026872       0.12026872 1.0 
     -0.11167809       0.11167809       0.11167809 1.0 
     -0.10308747       0.10308747       0.10308747 1.0 
     -0.09449685       0.09449685       0.09449685 1.0 
     -0.08590623       0.08590623       0.08590623 1.0 
     -0.07731560       0.07731560       0.07731560 1.0 
     -0.06872498       0.06872498       0.06872498 1.0 
     -0.06013436       0.06013436       0.06013436 1.0 
     -0.05154374       0.05154374       0.05154374 1.0 
     -0.04295311       0.04295311       0.04295311 1.0 
     -0.03436249       0.03436249       0.03436249 1.0 
     -0.02577187       0.02577187       0.02577187 1.0 
     -0.01718125       0.01718125       0.01718125 1.0 
     -0.00859062       0.00859062       0.00859062 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02631579       0.02631579      -0.02631579 1.0 
      0.05263158       0.05263158      -0.05263158 1.0 
      0.07894737       0.07894737      -0.07894737 1.0 
      0.10526316       0.10526316      -0.10526316 1.0 
      0.13157895       0.13157895      -0.13157895 1.0 
      0.15789474       0.15789474      -0.15789474 1.0 
      0.18421053       0.18421053      -0.18421053 1.0 
      0.21052632       0.21052632      -0.21052632 1.0 
      0.23684211       0.23684211      -0.23684211 1.0 
      0.26315789       0.26315789      -0.26315789 1.0 
      0.28947368       0.28947368      -0.28947368 1.0 
      0.31578947       0.31578947      -0.31578947 1.0 
      0.34210526       0.34210526      -0.34210526 1.0 
      0.36842105       0.36842105      -0.36842105 1.0 
      0.39473684       0.39473684      -0.39473684 1.0 
      0.42105263       0.42105263      -0.42105263 1.0 
      0.44736842       0.44736842      -0.44736842 1.0 
      0.47368421       0.47368421      -0.47368421 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49134230       0.50865770      -0.49134230 1.0 
      0.48268461       0.51731539      -0.48268461 1.0 
      0.47402691       0.52597309      -0.47402691 1.0 
      0.46536922       0.53463078      -0.46536922 1.0 
      0.45671152       0.54328848      -0.45671152 1.0 
      0.44805383       0.55194617      -0.44805383 1.0 
      0.43939613       0.56060387      -0.43939613 1.0 
      0.43073844       0.56926156      -0.43073844 1.0 
      0.42208074       0.57791926      -0.42208074 1.0 
      0.41342305       0.58657695      -0.41342305 1.0 
      0.40476535       0.59523465      -0.40476535 1.0 
      0.39610766       0.60389234      -0.39610766 1.0 
      0.38744996       0.61255004      -0.38744996 1.0 
      0.37879227       0.62120773      -0.37879227 1.0 
      0.37013457       0.62986543      -0.37013457 1.0 
      0.36147688       0.63852312      -0.36147688 1.0 
      0.35281918       0.64718082      -0.35281918 1.0 
      0.34416149       0.65583851      -0.34416149 1.0 
      0.33550379       0.66449621      -0.33550379 1.0 
      0.32684610       0.67315390      -0.32684610 1.0 
      0.31818840       0.68181160      -0.31818840 1.0 
      0.30953071       0.69046929      -0.30953071 1.0 
      0.30087301       0.69912699      -0.30087301 1.0 
      0.29221532       0.70778468      -0.29221532 1.0 
      0.28355762       0.71644238      -0.28355762 1.0 
      0.27489993       0.72510007      -0.27489993 1.0 
      0.27489993       0.72510007      -0.27489993 1.0 
      0.24740993       0.70259007      -0.24740993 1.0 
      0.21991994       0.68008006      -0.21991994 1.0 
      0.19242995       0.65757005      -0.19242995 1.0 
      0.16493996       0.63506004      -0.16493996 1.0 
      0.13744996       0.61255004      -0.13744996 1.0 
      0.10995997       0.59004003      -0.10995997 1.0 
      0.08246998       0.56753002      -0.08246998 1.0 
      0.05497999       0.54502001      -0.05497999 1.0 
      0.02748999       0.52251001      -0.02748999 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00862069       0.49137931       0.00862069 1.0 
      0.01724138       0.48275862       0.01724138 1.0 
      0.02586207       0.47413793       0.02586207 1.0 
      0.03448276       0.46551724       0.03448276 1.0 
      0.04310345       0.45689655       0.04310345 1.0 
      0.05172414       0.44827586       0.05172414 1.0 
      0.06034483       0.43965517       0.06034483 1.0 
      0.06896552       0.43103448       0.06896552 1.0 
      0.07758621       0.42241379       0.07758621 1.0 
      0.08620690       0.41379310       0.08620690 1.0 
      0.09482759       0.40517241       0.09482759 1.0 
      0.10344828       0.39655172       0.10344828 1.0 
      0.11206897       0.38793103       0.11206897 1.0 
      0.12068966       0.37931034       0.12068966 1.0 
      0.12931034       0.37068966       0.12931034 1.0 
      0.13793103       0.36206897       0.13793103 1.0 
      0.14655172       0.35344828       0.14655172 1.0 
      0.15517241       0.34482759       0.15517241 1.0 
      0.16379310       0.33620690       0.16379310 1.0 
      0.17241379       0.32758621       0.17241379 1.0 
      0.18103448       0.31896552       0.18103448 1.0 
      0.18965517       0.31034483       0.18965517 1.0 
      0.19827586       0.30172414       0.19827586 1.0 
      0.20689655       0.29310345       0.20689655 1.0 
      0.21551724       0.28448276       0.21551724 1.0 
      0.22413793       0.27586207       0.22413793 1.0 
      0.23275862       0.26724138       0.23275862 1.0 
      0.24137931       0.25862069       0.24137931 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.27500000       0.27500000       0.22002001 1.0 
      0.30000000       0.30000000       0.19004003 1.0 
      0.32500000       0.32500000       0.16006004 1.0 
      0.35000000       0.35000000       0.13008006 1.0 
      0.37500000       0.37500000       0.10010007 1.0 
      0.40000000       0.40000000       0.07012009 1.0 
      0.42500000       0.42500000       0.04014010 1.0 
      0.45000000       0.45000000       0.01016012 1.0 
      0.47500000       0.47500000      -0.01981987 1.0 
      0.50000000       0.50000000      -0.04979985 1.0 
      0.50000000       0.50000000      -0.04979985 1.0 
      0.50000000       0.50000000      -0.06196742 1.0 
      0.50000000       0.50000000      -0.07413499 1.0 
      0.50000000       0.50000000      -0.08630257 1.0 
      0.50000000       0.50000000      -0.09847014 1.0 
      0.50000000       0.50000000      -0.11063771 1.0 
      0.50000000       0.50000000      -0.12280528 1.0 
      0.50000000       0.50000000      -0.13497285 1.0 
      0.50000000       0.50000000      -0.14714042 1.0 
      0.50000000       0.50000000      -0.15930799 1.0 
      0.50000000       0.50000000      -0.17147557 1.0 
      0.50000000       0.50000000      -0.18364314 1.0 
      0.50000000       0.50000000      -0.19581071 1.0 
      0.50000000       0.50000000      -0.20797828 1.0 
      0.50000000       0.50000000      -0.22014585 1.0 
      0.50000000       0.50000000      -0.23231342 1.0 
      0.50000000       0.50000000      -0.24448100 1.0 
      0.50000000       0.50000000      -0.25664857 1.0 
      0.50000000       0.50000000      -0.26881614 1.0 
      0.50000000       0.50000000      -0.28098371 1.0 
      0.50000000       0.50000000      -0.29315128 1.0 
      0.50000000       0.50000000      -0.30531885 1.0 
      0.50000000       0.50000000      -0.31748643 1.0 
      0.50000000       0.50000000      -0.32965400 1.0 
      0.50000000       0.50000000      -0.34182157 1.0 
      0.50000000       0.50000000      -0.35398914 1.0 
      0.50000000       0.50000000      -0.36615671 1.0 
      0.50000000       0.50000000      -0.37832428 1.0 
      0.50000000       0.50000000      -0.39049186 1.0 
      0.50000000       0.50000000      -0.40265943 1.0 
      0.50000000       0.50000000      -0.41482700 1.0 
      0.50000000       0.50000000      -0.42699457 1.0 
      0.50000000       0.50000000      -0.43916214 1.0 
      0.50000000       0.50000000      -0.45132971 1.0 
      0.50000000       0.50000000      -0.46349729 1.0 
      0.50000000       0.50000000      -0.47566486 1.0 
      0.50000000       0.50000000      -0.48783243 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02500000       0.02500000       0.47500000 1.0 
      0.05000000       0.05000000       0.45000000 1.0 
      0.07500000       0.07500000       0.42500000 1.0 
      0.10000000       0.10000000       0.40000000 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.15000000       0.15000000       0.35000000 1.0 
      0.17500000       0.17500000       0.32500000 1.0 
      0.20000000       0.20000000       0.30000000 1.0 
      0.22500000       0.22500000       0.27500000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

