! Pwscf input file created with ciftopw.py 
! Compound: Mg(BrO3)2
&control
         calculation     = 'bands'
         prefix          = 'MgxBrO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.9450452724621119
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.9966704570091667
         celldm(4)       =            0.0494971489626162
         celldm(5)       =            0.0494971489626162
         celldm(6)       =            0.3147397894539252
         nat             =        9
         ntyp            =        3
         ecutwfc         =       59.00000000
         ecutrho         =      386.00000000
         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 
Mg  24.3050 Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
249
      0.00000000       0.00000000       0.00000000 1.0 
      0.01612903       0.01612903      -0.00000000 1.0 
      0.03225806       0.03225806      -0.00000000 1.0 
      0.04838710       0.04838710      -0.00000000 1.0 
      0.06451613       0.06451613      -0.00000000 1.0 
      0.08064516       0.08064516      -0.00000000 1.0 
      0.09677419       0.09677419      -0.00000000 1.0 
      0.11290323       0.11290323      -0.00000000 1.0 
      0.12903226       0.12903226      -0.00000000 1.0 
      0.14516129       0.14516129      -0.00000000 1.0 
      0.16129032       0.16129032      -0.00000000 1.0 
      0.17741935       0.17741935      -0.00000000 1.0 
      0.19354839       0.19354839      -0.00000000 1.0 
      0.20967742       0.20967742      -0.00000000 1.0 
      0.22580645       0.22580645      -0.00000000 1.0 
      0.24193548       0.24193548      -0.00000000 1.0 
      0.25806452       0.25806452      -0.00000000 1.0 
      0.27419355       0.27419355      -0.00000000 1.0 
      0.29032258       0.29032258      -0.00000000 1.0 
      0.30645161       0.30645161      -0.00000000 1.0 
      0.32258065       0.32258065      -0.00000000 1.0 
      0.33870968       0.33870968      -0.00000000 1.0 
      0.35483871       0.35483871      -0.00000000 1.0 
      0.37096774       0.37096774      -0.00000000 1.0 
      0.38709677       0.38709677      -0.00000000 1.0 
      0.40322581       0.40322581      -0.00000000 1.0 
      0.41935484       0.41935484      -0.00000000 1.0 
      0.43548387       0.43548387       0.00000000 1.0 
      0.45161290       0.45161290      -0.00000000 1.0 
      0.46774194       0.46774194       0.00000000 1.0 
      0.48387097       0.48387097      -0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.50096057       0.50096057       0.01934198 1.0 
      0.50192114       0.50192114       0.03868396 1.0 
      0.50288171       0.50288171       0.05802594 1.0 
      0.50384228       0.50384228       0.07736792 1.0 
      0.50480286       0.50480286       0.09670991 1.0 
      0.50576343       0.50576343       0.11605189 1.0 
      0.50672400       0.50672400       0.13539387 1.0 
      0.50768457       0.50768457       0.15473585 1.0 
      0.50864514       0.50864514       0.17407783 1.0 
      0.50960571       0.50960571       0.19341981 1.0 
      0.51056628       0.51056628       0.21276179 1.0 
      0.51152685       0.51152685       0.23210377 1.0 
      0.51248743       0.51248743       0.25144576 1.0 
      0.51344800       0.51344800       0.27078774 1.0 
      0.51440857       0.51440857       0.29012972 1.0 
      0.51536914       0.51536914       0.30947170 1.0 
      0.51632971       0.51632971       0.32881368 1.0 
      0.51729028       0.51729028       0.34815566 1.0 
      0.51825085       0.51825085       0.36749764 1.0 
      0.51921142       0.51921142       0.38683962 1.0 
      0.52017199       0.52017199       0.40618161 1.0 
      0.52113257       0.52113257       0.42552359 1.0 
      0.52209314       0.52209314       0.44486557 1.0 
      0.52305371       0.52305371       0.46420755 1.0 
      0.52305371       0.52305371       0.46420755 1.0 
      0.51536914       0.51536914       0.47613837 1.0 
      0.50768457       0.50768457       0.48806918 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.51101666       0.48898334       0.50000000 1.0 
      0.52203333       0.47796667       0.50000000 1.0 
      0.53304999       0.46695001       0.50000000 1.0 
      0.54406665       0.45593335       0.50000000 1.0 
      0.55508332       0.44491668       0.50000000 1.0 
      0.56609998       0.43390002       0.50000000 1.0 
      0.57711664       0.42288336       0.50000000 1.0 
      0.58813331       0.41186669       0.50000000 1.0 
      0.59914997       0.40085003       0.50000000 1.0 
      0.61016664       0.38983336       0.50000000 1.0 
      0.62118330       0.37881670       0.50000000 1.0 
      0.63219996       0.36780004       0.50000000 1.0 
      0.36780004      -0.36780004       0.50000000 1.0 
      0.35630629      -0.35630629       0.50000000 1.0 
      0.34481254      -0.34481254       0.50000000 1.0 
      0.33331878      -0.33331878       0.50000000 1.0 
      0.32182503      -0.32182503       0.50000000 1.0 
      0.31033128      -0.31033128       0.50000000 1.0 
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      0.27585003      -0.27585003       0.50000000 1.0 
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      0.25286253      -0.25286253       0.50000000 1.0 
      0.24136877      -0.24136877       0.50000000 1.0 
      0.22987502      -0.22987502       0.50000000 1.0 
      0.21838127      -0.21838127       0.50000000 1.0 
      0.20688752      -0.20688752       0.50000000 1.0 
      0.19539377      -0.19539377       0.50000000 1.0 
      0.18390002      -0.18390002       0.50000000 1.0 
      0.17240627      -0.17240627       0.50000000 1.0 
      0.16091252      -0.16091252       0.50000000 1.0 
      0.14941877      -0.14941877       0.50000000 1.0 
      0.13792501      -0.13792501       0.50000000 1.0 
      0.12643126      -0.12643126       0.50000000 1.0 
      0.11493751      -0.11493751       0.50000000 1.0 
      0.10344376      -0.10344376       0.50000000 1.0 
      0.09195001      -0.09195001       0.50000000 1.0 
      0.08045626      -0.08045626       0.50000000 1.0 
      0.06896251      -0.06896251       0.50000000 1.0 
      0.05746876      -0.05746876       0.50000000 1.0 
      0.04597500      -0.04597500       0.50000000 1.0 
      0.03448125      -0.03448125       0.50000000 1.0 
      0.02298750      -0.02298750       0.50000000 1.0 
      0.01149375      -0.01149375       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01589821       0.01589821       0.50119308 1.0 
      0.03179642       0.03179642       0.50238616 1.0 
      0.04769463       0.04769463       0.50357925 1.0 
      0.06359284       0.06359284       0.50477233 1.0 
      0.07949105       0.07949105       0.50596541 1.0 
      0.09538926       0.09538926       0.50715849 1.0 
      0.11128747       0.11128747       0.50835157 1.0 
      0.12718568       0.12718568       0.50954465 1.0 
      0.14308389       0.14308389       0.51073774 1.0 
      0.15898210       0.15898210       0.51193082 1.0 
      0.17488031       0.17488031       0.51312390 1.0 
      0.19077852       0.19077852       0.51431698 1.0 
      0.20667673       0.20667673       0.51551006 1.0 
      0.22257494       0.22257494       0.51670314 1.0 
      0.23847315       0.23847315       0.51789623 1.0 
      0.25437136       0.25437136       0.51908931 1.0 
      0.27026957       0.27026957       0.52028239 1.0 
      0.28616777       0.28616777       0.52147547 1.0 
      0.30206598       0.30206598       0.52266855 1.0 
      0.31796419       0.31796419       0.52386163 1.0 
      0.33386240       0.33386240       0.52505472 1.0 
      0.34976061       0.34976061       0.52624780 1.0 
      0.36565882       0.36565882       0.52744088 1.0 
      0.38155703       0.38155703       0.52863396 1.0 
      0.39745524       0.39745524       0.52982704 1.0 
      0.41335345       0.41335345       0.53102012 1.0 
      0.42925166       0.42925166       0.53221321 1.0 
      0.44514987       0.44514987       0.53340629 1.0 
      0.46104808       0.46104808       0.53459937 1.0 
      0.47694629       0.47694629       0.53579245 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.52167439       0.47832561       0.00000000 1.0 
      0.53251159       0.46748841       0.00000000 1.0 
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      0.56502318       0.43497682       0.00000000 1.0 
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      0.17308674      -0.17308674      -0.00000000 1.0 
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      0.15000851      -0.15000851      -0.00000000 1.0 
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      0.41666667       0.00000000       0.41666667 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

