! Pwscf input file created with ciftopw.py 
! Compound: Hg5(BrO2)2
&control
         calculation     = 'bands'
         prefix          = 'Hg5xBrO2x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           16.8131487018081991
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.7665054616324549
         celldm(5)       =           -0.1264571538115840
         celldm(6)       =           -0.1070373845559618
         nat             =       22
         ntyp            =        3
         ecutwfc         =       50.00000000
         ecutrho         =      416.00000000
         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 
Hg 200.5900 Hg.rel-pbe-n-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
245
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00955669       0.00955669       0.00955669 1.0 
     -0.01911338       0.01911338       0.01911338 1.0 
     -0.02867007       0.02867007       0.02867007 1.0 
     -0.03822676       0.03822676       0.03822676 1.0 
     -0.04778345       0.04778345       0.04778345 1.0 
     -0.05734014       0.05734014       0.05734014 1.0 
     -0.06689683       0.06689683       0.06689683 1.0 
     -0.07645351       0.07645351       0.07645351 1.0 
     -0.08601020       0.08601020       0.08601020 1.0 
     -0.09556689       0.09556689       0.09556689 1.0 
     -0.10512358       0.10512358       0.10512358 1.0 
     -0.11468027       0.11468027       0.11468027 1.0 
     -0.12423696       0.12423696       0.12423696 1.0 
     -0.13379365       0.13379365       0.13379365 1.0 
     -0.14335034       0.14335034       0.14335034 1.0 
     -0.15290703       0.15290703       0.15290703 1.0 
     -0.16246372       0.16246372       0.16246372 1.0 
     -0.17202041       0.17202041       0.17202041 1.0 
     -0.18157710       0.18157710       0.18157710 1.0 
     -0.19113379       0.19113379       0.19113379 1.0 
     -0.20069048       0.20069048       0.20069048 1.0 
     -0.21024717       0.21024717       0.21024717 1.0 
     -0.21980386       0.21980386       0.21980386 1.0 
     -0.22936054       0.22936054       0.22936054 1.0 
     -0.23891723       0.23891723       0.23891723 1.0 
     -0.24847392       0.24847392       0.24847392 1.0 
     -0.25803061       0.25803061       0.25803061 1.0 
     -0.26758730       0.26758730       0.26758730 1.0 
     -0.27714399       0.27714399       0.27714399 1.0 
     -0.28670068       0.28670068       0.28670068 1.0 
     -0.29625737       0.29625737       0.29625737 1.0 
     -0.30581406       0.30581406       0.30581406 1.0 
     -0.31537075       0.31537075       0.31537075 1.0 
     -0.31537075       0.31537075       0.31537075 1.0 
     -0.30993386       0.30993386       0.32080764 1.0 
     -0.30993386       0.30993386       0.32080764 1.0 
     -0.28927160       0.28927160       0.33275380 1.0 
     -0.26860934       0.26860934       0.34469996 1.0 
     -0.24794708       0.24794708       0.35664611 1.0 
     -0.22728483       0.22728483       0.36859227 1.0 
     -0.20662257       0.20662257       0.38053843 1.0 
     -0.18596031       0.18596031       0.39248459 1.0 
     -0.16529806       0.16529806       0.40443074 1.0 
     -0.14463580       0.14463580       0.41637690 1.0 
     -0.12397354       0.12397354       0.42832306 1.0 
     -0.10331129       0.10331129       0.44026921 1.0 
     -0.08264903       0.08264903       0.45221537 1.0 
     -0.06198677       0.06198677       0.46416153 1.0 
     -0.04132451       0.04132451       0.47610769 1.0 
     -0.02066226       0.02066226       0.48805384 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
      0.01785714       0.01785714       0.48214286 1.0 
      0.03571429       0.03571429       0.46428571 1.0 
      0.05357143       0.05357143       0.44642857 1.0 
      0.07142857       0.07142857       0.42857143 1.0 
      0.08928571       0.08928571       0.41071429 1.0 
      0.10714286       0.10714286       0.39285714 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.14285714       0.14285714       0.35714286 1.0 
      0.16071429       0.16071429       0.33928571 1.0 
      0.17857143       0.17857143       0.32142857 1.0 
      0.19642857       0.19642857       0.30357143 1.0 
      0.21428571       0.21428571       0.28571429 1.0 
      0.23214286       0.23214286       0.26785714 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23214286       0.26785714       0.23214286 1.0 
      0.21428571       0.28571429       0.21428571 1.0 
      0.19642857       0.30357143       0.19642857 1.0 
      0.17857143       0.32142857       0.17857143 1.0 
      0.16071429       0.33928571       0.16071429 1.0 
      0.14285714       0.35714286       0.14285714 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.10714286       0.39285714       0.10714286 1.0 
      0.08928571       0.41071429       0.08928571 1.0 
      0.07142857       0.42857143       0.07142857 1.0 
      0.05357143       0.44642857       0.05357143 1.0 
      0.03571429       0.46428571       0.03571429 1.0 
      0.01785714       0.48214286       0.01785714 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.02102472       0.51230862      -0.02102472 1.0 
      0.04204943       0.52461723      -0.04204943 1.0 
      0.06307415       0.53692585      -0.06307415 1.0 
      0.08409887       0.54923447      -0.08409887 1.0 
      0.10512358       0.56154308      -0.10512358 1.0 
      0.12614830       0.57385170      -0.12614830 1.0 
      0.14717302       0.58616032      -0.14717302 1.0 
      0.16819773       0.59846893      -0.16819773 1.0 
      0.18922245       0.61077755      -0.18922245 1.0 
      0.21024717       0.62308617      -0.21024717 1.0 
      0.23127188       0.63539478      -0.23127188 1.0 
      0.25229660       0.64770340      -0.25229660 1.0 
      0.27332132       0.66001202      -0.27332132 1.0 
      0.29434603       0.67232063      -0.29434603 1.0 
      0.31537075       0.68462925      -0.31537075 1.0 
      0.31537075       0.68462925      -0.31537075 1.0 
      0.32460221       0.67539779      -0.32460221 1.0 
      0.33383367       0.66616633      -0.33383367 1.0 
      0.34306514       0.65693486      -0.34306514 1.0 
      0.35229660       0.64770340      -0.35229660 1.0 
      0.36152806       0.63847194      -0.36152806 1.0 
      0.37075952       0.62924048      -0.37075952 1.0 
      0.37999099       0.62000901      -0.37999099 1.0 
      0.38922245       0.61077755      -0.38922245 1.0 
      0.39845391       0.60154609      -0.39845391 1.0 
      0.40768537       0.59231463      -0.40768537 1.0 
      0.41691684       0.58308316      -0.41691684 1.0 
      0.42614830       0.57385170      -0.42614830 1.0 
      0.43537976       0.56462024      -0.43537976 1.0 
      0.44461122       0.55538878      -0.44461122 1.0 
      0.45384269       0.54615731      -0.45384269 1.0 
      0.46307415       0.53692585      -0.46307415 1.0 
      0.47230561       0.52769439      -0.47230561 1.0 
      0.48153707       0.51846293      -0.48153707 1.0 
      0.49076854       0.50923146      -0.49076854 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.48148148       0.48148148      -0.48148148 1.0 
      0.46296296       0.46296296      -0.46296296 1.0 
      0.44444444       0.44444444      -0.44444444 1.0 
      0.42592593       0.42592593      -0.42592593 1.0 
      0.40740741       0.40740741      -0.40740741 1.0 
      0.38888889       0.38888889      -0.38888889 1.0 
      0.37037037       0.37037037      -0.37037037 1.0 
      0.35185185       0.35185185      -0.35185185 1.0 
      0.33333333       0.33333333      -0.33333333 1.0 
      0.31481481       0.31481481      -0.31481481 1.0 
      0.29629630       0.29629630      -0.29629630 1.0 
      0.27777778       0.27777778      -0.27777778 1.0 
      0.25925926       0.25925926      -0.25925926 1.0 
      0.24074074       0.24074074      -0.24074074 1.0 
      0.22222222       0.22222222      -0.22222222 1.0 
      0.20370370       0.20370370      -0.20370370 1.0 
      0.18518519       0.18518519      -0.18518519 1.0 
      0.16666667       0.16666667      -0.16666667 1.0 
      0.14814815       0.14814815      -0.14814815 1.0 
      0.12962963       0.12962963      -0.12962963 1.0 
      0.11111111       0.11111111      -0.11111111 1.0 
      0.09259259       0.09259259      -0.09259259 1.0 
      0.07407407       0.07407407      -0.07407407 1.0 
      0.05555556       0.05555556      -0.05555556 1.0 
      0.03703704       0.03703704      -0.03703704 1.0 
      0.01851852       0.01851852      -0.01851852 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01831715      -0.01831715       0.01831715 1.0 
      0.03663430      -0.03663430       0.03663430 1.0 
      0.05495146      -0.05495146       0.05495146 1.0 
      0.07326861      -0.07326861       0.07326861 1.0 
      0.09158576      -0.09158576       0.09158576 1.0 
      0.10990291      -0.10990291       0.10990291 1.0 
      0.12822006      -0.12822006       0.12822006 1.0 
      0.14653722      -0.14653722       0.14653722 1.0 
      0.16485437      -0.16485437       0.16485437 1.0 
      0.18317152      -0.18317152       0.18317152 1.0 
      0.20148867      -0.20148867       0.20148867 1.0 
      0.21980583      -0.21980583       0.21980583 1.0 
      0.23812298      -0.23812298       0.23812298 1.0 
      0.25644013      -0.25644013       0.25644013 1.0 
      0.27475728      -0.27475728       0.27475728 1.0 
      0.29307443      -0.29307443       0.29307443 1.0 
      0.31139159      -0.31139159       0.31139159 1.0 
      0.32970874      -0.32970874       0.32970874 1.0 
      0.34802589      -0.34802589       0.34802589 1.0 
      0.36634304      -0.36634304       0.36634304 1.0 
      0.38466019      -0.38466019       0.38466019 1.0 
      0.40297735      -0.40297735       0.40297735 1.0 
      0.42129450      -0.42129450       0.42129450 1.0 
      0.43961165      -0.43961165       0.43961165 1.0 
      0.45792880      -0.45792880       0.45792880 1.0 
      0.47624595      -0.47624595       0.47624595 1.0 
      0.49456311      -0.49456311       0.49456311 1.0 
      0.49456311      -0.49456311       0.49456311 1.0 
      0.49484926      -0.46853347       0.46853347 1.0 
      0.49513541      -0.44250383       0.44250383 1.0 
      0.49542156      -0.41647420       0.41647420 1.0 
      0.49570772      -0.39044456       0.39044456 1.0 
      0.49599387      -0.36441492       0.36441492 1.0 
      0.49628002      -0.33838528       0.33838528 1.0 
      0.49656617      -0.31235565       0.31235565 1.0 
      0.49685233      -0.28632601       0.28632601 1.0 
      0.49713848      -0.26029637       0.26029637 1.0 
      0.49742463      -0.23426673       0.23426673 1.0 
      0.49771078      -0.20823710       0.20823710 1.0 
      0.49799693      -0.18220746       0.18220746 1.0 
      0.49828309      -0.15617782       0.15617782 1.0 
      0.49856924      -0.13014819       0.13014819 1.0 
      0.49885539      -0.10411855       0.10411855 1.0 
      0.49914154      -0.07808891       0.07808891 1.0 
      0.49942770      -0.05205927       0.05205927 1.0 
      0.49971385      -0.02602964       0.02602964 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.49038462       0.00961538       0.00961538 1.0 
      0.48076923       0.01923077       0.01923077 1.0 
      0.47115385       0.02884615       0.02884615 1.0 
      0.46153846       0.03846154       0.03846154 1.0 
      0.45192308       0.04807692       0.04807692 1.0 
      0.44230769       0.05769231       0.05769231 1.0 
      0.43269231       0.06730769       0.06730769 1.0 
      0.42307692       0.07692308       0.07692308 1.0 
      0.41346154       0.08653846       0.08653846 1.0 
      0.40384615       0.09615385       0.09615385 1.0 
      0.39423077       0.10576923       0.10576923 1.0 
      0.38461538       0.11538462       0.11538462 1.0 
      0.37500000       0.12500000       0.12500000 1.0 
      0.36538462       0.13461538       0.13461538 1.0 
      0.35576923       0.14423077       0.14423077 1.0 
      0.34615385       0.15384615       0.15384615 1.0 
      0.33653846       0.16346154       0.16346154 1.0 
      0.32692308       0.17307692       0.17307692 1.0 
      0.31730769       0.18269231       0.18269231 1.0 
      0.30769231       0.19230769       0.19230769 1.0 
      0.29807692       0.20192308       0.20192308 1.0 
      0.28846154       0.21153846       0.21153846 1.0 
      0.27884615       0.22115385       0.22115385 1.0 
      0.26923077       0.23076923       0.23076923 1.0 
      0.25961538       0.24038462       0.24038462 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.30993386      -0.30993386       0.67919236 1.0 
      0.31916532      -0.31916532       0.66996090 1.0 
      0.32839678      -0.32839678       0.66072943 1.0 
      0.33762824      -0.33762824       0.65149797 1.0 
      0.34685971      -0.34685971       0.64226651 1.0 
      0.35609117      -0.35609117       0.63303505 1.0 
      0.36532263      -0.36532263       0.62380358 1.0 
      0.37455409      -0.37455409       0.61457212 1.0 
      0.38378556      -0.38378556       0.60534066 1.0 
      0.39301702      -0.39301702       0.59610920 1.0 
      0.40224848      -0.40224848       0.58687773 1.0 
      0.41147994      -0.41147994       0.57764627 1.0 
      0.42071141      -0.42071141       0.56841481 1.0 
      0.42994287      -0.42994287       0.55918334 1.0 
      0.43917433      -0.43917433       0.54995188 1.0 
      0.44840579      -0.44840579       0.54072042 1.0 
      0.45763726      -0.45763726       0.53148896 1.0 
      0.46686872      -0.46686872       0.52225749 1.0 
      0.47610018      -0.47610018       0.51302603 1.0 
      0.48533164      -0.48533164       0.50379457 1.0 
      0.49456311      -0.49456311       0.49456311 1.0 
      0.50543689       0.49456311      -0.49456311 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 

