! Pwscf input file created with ciftopw.py 
! Compound: RuC3Br2O3
&control
         calculation     = 'bands'
         prefix          = 'RuC3Br2O3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.3448872371517862
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.4419912044888876
         celldm(4)       =            0.2309909598041268
         celldm(5)       =            0.2309909598041268
         celldm(6)       =            0.3514562287787081
         nat             =       18
         ntyp            =        4
         ecutwfc         =       80.00000000
         ecutrho         =      327.00000000
         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 
Ru 101.0700 Ru.rel-pbe-oncvpsp.UPF 
 C  12.0107 C.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
230
      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 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50440953       0.50440953       0.02752707 1.0 
      0.50881906       0.50881906       0.05505414 1.0 
      0.51322859       0.51322859       0.08258121 1.0 
      0.51763812       0.51763812       0.11010829 1.0 
      0.52204765       0.52204765       0.13763536 1.0 
      0.52645719       0.52645719       0.16516243 1.0 
      0.53086672       0.53086672       0.19268950 1.0 
      0.53527625       0.53527625       0.22021657 1.0 
      0.53968578       0.53968578       0.24774364 1.0 
      0.54409531       0.54409531       0.27527072 1.0 
      0.54409531       0.54409531       0.27527072 1.0 
      0.53919583       0.53919583       0.30024064 1.0 
      0.53429635       0.53429635       0.32521056 1.0 
      0.52939687       0.52939687       0.35018048 1.0 
      0.52449739       0.52449739       0.37515040 1.0 
      0.51959791       0.51959791       0.40012032 1.0 
      0.51469844       0.51469844       0.42509024 1.0 
      0.50979896       0.50979896       0.45006016 1.0 
      0.50489948       0.50489948       0.47503008 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.51153391       0.48846609       0.50000000 1.0 
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      0.53460172       0.46539828       0.50000000 1.0 
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      0.61533908       0.38466092       0.50000000 1.0 
      0.62687299       0.37312701       0.50000000 1.0 
      0.63840690       0.36159310       0.50000000 1.0 
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      0.66147472       0.33852528       0.50000000 1.0 
      0.33852528      -0.33852528       0.50000000 1.0 
      0.32685200      -0.32685200       0.50000000 1.0 
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      0.28015886      -0.28015886       0.50000000 1.0 
      0.26848557      -0.26848557       0.50000000 1.0 
      0.25681229      -0.25681229       0.50000000 1.0 
      0.24513900      -0.24513900       0.50000000 1.0 
      0.23346571      -0.23346571       0.50000000 1.0 
      0.22179243      -0.22179243       0.50000000 1.0 
      0.21011914      -0.21011914       0.50000000 1.0 
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      0.16342600      -0.16342600       0.50000000 1.0 
      0.15175271      -0.15175271       0.50000000 1.0 
      0.14007943      -0.14007943       0.50000000 1.0 
      0.12840614      -0.12840614       0.50000000 1.0 
      0.11673286      -0.11673286       0.50000000 1.0 
      0.10505957      -0.10505957       0.50000000 1.0 
      0.09338629      -0.09338629       0.50000000 1.0 
      0.08171300      -0.08171300       0.50000000 1.0 
      0.07003971      -0.07003971       0.50000000 1.0 
      0.05836643      -0.05836643       0.50000000 1.0 
      0.04669314      -0.04669314       0.50000000 1.0 
      0.03501986      -0.03501986       0.50000000 1.0 
      0.02334657      -0.02334657       0.50000000 1.0 
      0.01167329      -0.01167329       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01688536       0.01688536       0.50832331 1.0 
      0.03377072       0.03377072       0.51664661 1.0 
      0.05065608       0.05065608       0.52496992 1.0 
      0.06754144       0.06754144       0.53329323 1.0 
      0.08442679       0.08442679       0.54161653 1.0 
      0.10131215       0.10131215       0.54993984 1.0 
      0.11819751       0.11819751       0.55826315 1.0 
      0.13508287       0.13508287       0.56658645 1.0 
      0.15196823       0.15196823       0.57490976 1.0 
      0.16885359       0.16885359       0.58323307 1.0 
      0.18573895       0.18573895       0.59155637 1.0 
      0.20262431       0.20262431       0.59987968 1.0 
      0.21950967       0.21950967       0.60820299 1.0 
      0.23639503       0.23639503       0.61652630 1.0 
      0.25328038       0.25328038       0.62484960 1.0 
      0.27016574       0.27016574       0.63317291 1.0 
      0.28705110       0.28705110       0.64149622 1.0 
      0.30393646       0.30393646       0.64981952 1.0 
      0.32082182       0.32082182       0.65814283 1.0 
      0.33770718       0.33770718       0.66646614 1.0 
      0.35459254       0.35459254       0.67478944 1.0 
      0.37147790       0.37147790       0.68311275 1.0 
      0.38836326       0.38836326       0.69143606 1.0 
      0.40524861       0.40524861       0.69975936 1.0 
      0.42213397       0.42213397       0.70808267 1.0 
      0.43901933       0.43901933       0.71640598 1.0 
      0.45590469       0.45590469       0.72472928 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51088576       0.48911424       0.00000000 1.0 
      0.52177153       0.47822847       0.00000000 1.0 
      0.53265729       0.46734271       0.00000000 1.0 
      0.54354305       0.45645695       0.00000000 1.0 
      0.55442882       0.44557118       0.00000000 1.0 
      0.56531458       0.43468542       0.00000000 1.0 
      0.57620034       0.42379966       0.00000000 1.0 
      0.58708611       0.41291389       0.00000000 1.0 
      0.59797187       0.40202813       0.00000000 1.0 
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      0.61974339       0.38025661       0.00000000 1.0 
      0.38025661      -0.38025661       0.00000000 1.0 
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      0.31111904      -0.31111904       0.00000000 1.0 
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      0.50000000       0.00000000       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

