! Pwscf input file created with ciftopw.py 
! Compound: Sc(ReO3)2
&control
         calculation     = 'bands'
         prefix          = 'ScxReO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.0650155692329992
         celldm(2)       =            1.1710652491140299
         celldm(3)       =            1.5664582030435690
         celldm(4)       =            0.1303531504610727
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       18
         ntyp            =        3
         ecutwfc         =       54.00000000
         ecutrho         =      402.00000000
         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 
Re 186.2070 Re.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Sc  44.9559 Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
252
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02272727 1.0 
      0.00000000       0.00000000       0.04545455 1.0 
      0.00000000       0.00000000       0.06818182 1.0 
      0.00000000       0.00000000       0.09090909 1.0 
      0.00000000       0.00000000       0.11363636 1.0 
      0.00000000       0.00000000       0.13636364 1.0 
      0.00000000       0.00000000       0.15909091 1.0 
      0.00000000       0.00000000       0.18181818 1.0 
      0.00000000       0.00000000       0.20454545 1.0 
      0.00000000       0.00000000       0.22727273 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27272727 1.0 
      0.00000000       0.00000000       0.29545455 1.0 
      0.00000000       0.00000000       0.31818182 1.0 
      0.00000000       0.00000000       0.34090909 1.0 
      0.00000000       0.00000000       0.36363636 1.0 
      0.00000000       0.00000000       0.38636364 1.0 
      0.00000000       0.00000000       0.40909091 1.0 
      0.00000000       0.00000000       0.43181818 1.0 
      0.00000000       0.00000000       0.45454545 1.0 
      0.00000000       0.00000000       0.47727273 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01765674       0.50307872 1.0 
      0.00000000       0.03531349       0.50615744 1.0 
      0.00000000       0.05297023       0.50923615 1.0 
      0.00000000       0.07062698       0.51231487 1.0 
      0.00000000       0.08828372       0.51539359 1.0 
      0.00000000       0.10594047       0.51847231 1.0 
      0.00000000       0.12359721       0.52155102 1.0 
      0.00000000       0.14125396       0.52462974 1.0 
      0.00000000       0.15891070       0.52770846 1.0 
      0.00000000       0.17656745       0.53078718 1.0 
      0.00000000       0.19422419       0.53386590 1.0 
      0.00000000       0.21188094       0.53694461 1.0 
      0.00000000       0.22953768       0.54002333 1.0 
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      0.00000000       0.33547815       0.55849564 1.0 
      0.00000000       0.35313489       0.56157436 1.0 
      0.00000000       0.37079164       0.56465307 1.0 
      0.00000000       0.38844838       0.56773179 1.0 
      0.00000000       0.40610513       0.57081051 1.0 
      0.00000000       0.42376187       0.57388923 1.0 
      0.00000000       0.44141862       0.57696795 1.0 
      0.00000000       0.45907536       0.58004666 1.0 
      0.00000000       0.45907536       0.58004666 1.0 
      0.00000000       0.46726029       0.56403733 1.0 
      0.00000000       0.47544522       0.54802800 1.0 
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      0.00000000       0.49181507       0.51600933 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
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      0.01515152       0.50000000       0.50000000 1.0 
      0.03030303       0.50000000       0.50000000 1.0 
      0.04545455       0.50000000       0.50000000 1.0 
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      0.07575758       0.50000000       0.50000000 1.0 
      0.09090909       0.50000000       0.50000000 1.0 
      0.10606061       0.50000000       0.50000000 1.0 
      0.12121212       0.50000000       0.50000000 1.0 
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      0.15151515       0.50000000       0.50000000 1.0 
      0.16666667       0.50000000       0.50000000 1.0 
      0.18181818       0.50000000       0.50000000 1.0 
      0.19696970       0.50000000       0.50000000 1.0 
      0.21212121       0.50000000       0.50000000 1.0 
      0.22727273       0.50000000       0.50000000 1.0 
      0.24242424       0.50000000       0.50000000 1.0 
      0.25757576       0.50000000       0.50000000 1.0 
      0.27272727       0.50000000       0.50000000 1.0 
      0.28787879       0.50000000       0.50000000 1.0 
      0.30303030       0.50000000       0.50000000 1.0 
      0.31818182       0.50000000       0.50000000 1.0 
      0.33333333       0.50000000       0.50000000 1.0 
      0.34848485       0.50000000       0.50000000 1.0 
      0.36363636       0.50000000       0.50000000 1.0 
      0.37878788       0.50000000       0.50000000 1.0 
      0.39393939       0.50000000       0.50000000 1.0 
      0.40909091       0.50000000       0.50000000 1.0 
      0.42424242       0.50000000       0.50000000 1.0 
      0.43939394       0.50000000       0.50000000 1.0 
      0.45454545       0.50000000       0.50000000 1.0 
      0.46969697       0.50000000       0.50000000 1.0 
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      0.50000000       0.51636986       0.46798133 1.0 
      0.50000000       0.52455478       0.45197200 1.0 
      0.50000000       0.53273971       0.43596267 1.0 
      0.50000000       0.54092464       0.41995334 1.0 
      0.50000000       0.54092464       0.41995334 1.0 
      0.50000000       0.53865105       0.39662260 1.0 
      0.50000000       0.53637746       0.37329185 1.0 
      0.50000000       0.53410387       0.34996111 1.0 
      0.50000000       0.53183027       0.32663037 1.0 
      0.50000000       0.52955668       0.30329963 1.0 
      0.50000000       0.52728309       0.27996889 1.0 
      0.50000000       0.52500950       0.25663815 1.0 
      0.50000000       0.52273591       0.23330741 1.0 
      0.50000000       0.52046232       0.20997667 1.0 
      0.50000000       0.51818873       0.18664593 1.0 
      0.50000000       0.51591514       0.16331519 1.0 
      0.50000000       0.51364155       0.13998445 1.0 
      0.50000000       0.51136796       0.11665370 1.0 
      0.50000000       0.50909436       0.09332296 1.0 
      0.50000000       0.50682077       0.06999222 1.0 
      0.50000000       0.50454718       0.04666148 1.0 
      0.50000000       0.50227359       0.02333074 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.48484848       0.50000000      -0.00000000 1.0 
      0.46969697       0.50000000      -0.00000000 1.0 
      0.45454545       0.50000000      -0.00000000 1.0 
      0.43939394       0.50000000      -0.00000000 1.0 
      0.42424242       0.50000000      -0.00000000 1.0 
      0.40909091       0.50000000      -0.00000000 1.0 
      0.39393939       0.50000000      -0.00000000 1.0 
      0.37878788       0.50000000      -0.00000000 1.0 
      0.36363636       0.50000000      -0.00000000 1.0 
      0.34848485       0.50000000      -0.00000000 1.0 
      0.33333333       0.50000000      -0.00000000 1.0 
      0.31818182       0.50000000      -0.00000000 1.0 
      0.30303030       0.50000000      -0.00000000 1.0 
      0.28787879       0.50000000      -0.00000000 1.0 
      0.27272727       0.50000000      -0.00000000 1.0 
      0.25757576       0.50000000      -0.00000000 1.0 
      0.24242424       0.50000000      -0.00000000 1.0 
      0.22727273       0.50000000      -0.00000000 1.0 
      0.21212121       0.50000000      -0.00000000 1.0 
      0.19696970       0.50000000      -0.00000000 1.0 
      0.18181818       0.50000000      -0.00000000 1.0 
      0.16666667       0.50000000      -0.00000000 1.0 
      0.15151515       0.50000000      -0.00000000 1.0 
      0.13636364       0.50000000      -0.00000000 1.0 
      0.12121212       0.50000000      -0.00000000 1.0 
      0.10606061       0.50000000      -0.00000000 1.0 
      0.09090909       0.50000000      -0.00000000 1.0 
      0.07575758       0.50000000      -0.00000000 1.0 
      0.06060606       0.50000000      -0.00000000 1.0 
      0.04545455       0.50000000      -0.00000000 1.0 
      0.03030303       0.50000000      -0.00000000 1.0 
      0.01515152       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50227359       0.02333074 1.0 
      0.00000000       0.50454718       0.04666148 1.0 
      0.00000000       0.50682077       0.06999222 1.0 
      0.00000000       0.50909436       0.09332296 1.0 
      0.00000000       0.51136796       0.11665370 1.0 
      0.00000000       0.51364155       0.13998445 1.0 
      0.00000000       0.51591514       0.16331519 1.0 
      0.00000000       0.51818873       0.18664593 1.0 
      0.00000000       0.52046232       0.20997667 1.0 
      0.00000000       0.52273591       0.23330741 1.0 
      0.00000000       0.52500950       0.25663815 1.0 
      0.00000000       0.52728309       0.27996889 1.0 
      0.00000000       0.52955668       0.30329963 1.0 
      0.00000000       0.53183027       0.32663037 1.0 
      0.00000000       0.53410387       0.34996111 1.0 
      0.00000000       0.53637746       0.37329185 1.0 
      0.00000000       0.53865105       0.39662260 1.0 
      0.00000000       0.54092464       0.41995334 1.0 
      0.50000000       0.45907536       0.58004666 1.0 
      0.50000000       0.44141862       0.57696795 1.0 
      0.50000000       0.42376187       0.57388923 1.0 
      0.50000000       0.40610513       0.57081051 1.0 
      0.50000000       0.38844838       0.56773179 1.0 
      0.50000000       0.37079164       0.56465307 1.0 
      0.50000000       0.35313489       0.56157436 1.0 
      0.50000000       0.33547815       0.55849564 1.0 
      0.50000000       0.31782140       0.55541692 1.0 
      0.50000000       0.30016466       0.55233820 1.0 
      0.50000000       0.28250791       0.54925949 1.0 
      0.50000000       0.26485117       0.54618077 1.0 
      0.50000000       0.24719443       0.54310205 1.0 
      0.50000000       0.22953768       0.54002333 1.0 
      0.50000000       0.21188094       0.53694461 1.0 
      0.50000000       0.19422419       0.53386590 1.0 
      0.50000000       0.17656745       0.53078718 1.0 
      0.50000000       0.15891070       0.52770846 1.0 
      0.50000000       0.14125396       0.52462974 1.0 
      0.50000000       0.12359721       0.52155102 1.0 
      0.50000000       0.10594047       0.51847231 1.0 
      0.50000000       0.08828372       0.51539359 1.0 
      0.50000000       0.07062698       0.51231487 1.0 
      0.50000000       0.05297023       0.50923615 1.0 
      0.50000000       0.03531349       0.50615744 1.0 
      0.50000000       0.01765674       0.50307872 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
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      0.50000000       0.00000000       0.27272727 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.22727273 1.0 
      0.50000000       0.00000000       0.20454545 1.0 
      0.50000000       0.00000000       0.18181818 1.0 
      0.50000000       0.00000000       0.15909091 1.0 
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      0.01515152       0.00000000       0.50000000 1.0 
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