! Pwscf input file created with ciftopw.py 
! Compound: Cu2SO5
&control
         calculation     = 'bands'
         prefix          = 'Cu2SO5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.6784844544985784
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.3518413489743517
         celldm(4)       =            0.4435124042803972
         celldm(5)       =            0.4435124042803972
         celldm(6)       =            0.3747623137192944
         nat             =       16
         ntyp            =        3
         ecutwfc         =       47.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
275
      0.00000000       0.00000000       0.00000000 1.0 
      0.01250000       0.01250000       0.00000000 1.0 
      0.02500000       0.02500000       0.00000000 1.0 
      0.03750000       0.03750000       0.00000000 1.0 
      0.05000000       0.05000000       0.00000000 1.0 
      0.06250000       0.06250000       0.00000000 1.0 
      0.07500000       0.07500000       0.00000000 1.0 
      0.08750000       0.08750000       0.00000000 1.0 
      0.10000000       0.10000000       0.00000000 1.0 
      0.11250000       0.11250000       0.00000000 1.0 
      0.12500000       0.12500000       0.00000000 1.0 
      0.13750000       0.13750000       0.00000000 1.0 
      0.15000000       0.15000000       0.00000000 1.0 
      0.16250000       0.16250000       0.00000000 1.0 
      0.17500000       0.17500000       0.00000000 1.0 
      0.18750000       0.18750000       0.00000000 1.0 
      0.20000000       0.20000000       0.00000000 1.0 
      0.21250000       0.21250000       0.00000000 1.0 
      0.22500000       0.22500000       0.00000000 1.0 
      0.23750000       0.23750000       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.26250000       0.26250000       0.00000000 1.0 
      0.27500000       0.27500000       0.00000000 1.0 
      0.28750000       0.28750000       0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.31250000       0.31250000       0.00000000 1.0 
      0.32500000       0.32500000       0.00000000 1.0 
      0.33750000       0.33750000       0.00000000 1.0 
      0.35000000       0.35000000       0.00000000 1.0 
      0.36250000       0.36250000       0.00000000 1.0 
      0.37500000       0.37500000       0.00000000 1.0 
      0.38750000       0.38750000       0.00000000 1.0 
      0.40000000       0.40000000       0.00000000 1.0 
      0.41250000       0.41250000       0.00000000 1.0 
      0.42500000       0.42500000       0.00000000 1.0 
      0.43750000       0.43750000       0.00000000 1.0 
      0.45000000       0.45000000       0.00000000 1.0 
      0.46250000       0.46250000       0.00000000 1.0 
      0.47500000       0.47500000       0.00000000 1.0 
      0.48750000       0.48750000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50734008       0.50734008       0.02237281 1.0 
      0.51468015       0.51468015       0.04474562 1.0 
      0.52202023       0.52202023       0.06711843 1.0 
      0.52936031       0.52936031       0.08949124 1.0 
      0.52936031       0.52936031       0.08949124 1.0 
      0.52802575       0.52802575       0.10815073 1.0 
      0.52669119       0.52669119       0.12681022 1.0 
      0.52535663       0.52535663       0.14546971 1.0 
      0.52402207       0.52402207       0.16412920 1.0 
      0.52268751       0.52268751       0.18278869 1.0 
      0.52135295       0.52135295       0.20144818 1.0 
      0.52001839       0.52001839       0.22010766 1.0 
      0.51868383       0.51868383       0.23876715 1.0 
      0.51734927       0.51734927       0.25742664 1.0 
      0.51601471       0.51601471       0.27608613 1.0 
      0.51468015       0.51468015       0.29474562 1.0 
      0.51334559       0.51334559       0.31340511 1.0 
      0.51201103       0.51201103       0.33206460 1.0 
      0.51067647       0.51067647       0.35072409 1.0 
      0.50934192       0.50934192       0.36938358 1.0 
      0.50800736       0.50800736       0.38804307 1.0 
      0.50667280       0.50667280       0.40670255 1.0 
      0.50533824       0.50533824       0.42536204 1.0 
      0.50400368       0.50400368       0.44402153 1.0 
      0.50266912       0.50266912       0.46268102 1.0 
      0.50133456       0.50133456       0.48134051 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50976168       0.49023832       0.50000000 1.0 
      0.51952336       0.48047664       0.50000000 1.0 
      0.52928503       0.47071497       0.50000000 1.0 
      0.53904671       0.46095329       0.50000000 1.0 
      0.54880839       0.45119161       0.50000000 1.0 
      0.55857007       0.44142993       0.50000000 1.0 
      0.56833175       0.43166825       0.50000000 1.0 
      0.57809342       0.42190658       0.50000000 1.0 
      0.58785510       0.41214490       0.50000000 1.0 
      0.59761678       0.40238322       0.50000000 1.0 
      0.60737846       0.39262154       0.50000000 1.0 
      0.61714014       0.38285986       0.50000000 1.0 
      0.62690181       0.37309819       0.50000000 1.0 
      0.63666349       0.36333651       0.50000000 1.0 
      0.64642517       0.35357483       0.50000000 1.0 
      0.65618685       0.34381315       0.50000000 1.0 
      0.66594853       0.33405147       0.50000000 1.0 
      0.67571020       0.32428980       0.50000000 1.0 
      0.68547188       0.31452812       0.50000000 1.0 
      0.69523356       0.30476644       0.50000000 1.0 
      0.30476644      -0.30476644       0.50000000 1.0 
      0.29493526      -0.29493526       0.50000000 1.0 
      0.28510409      -0.28510409       0.50000000 1.0 
      0.27527291      -0.27527291       0.50000000 1.0 
      0.26544174      -0.26544174       0.50000000 1.0 
      0.25561056      -0.25561056       0.50000000 1.0 
      0.24577939      -0.24577939       0.50000000 1.0 
      0.23594821      -0.23594821       0.50000000 1.0 
      0.22611704      -0.22611704       0.50000000 1.0 
      0.21628586      -0.21628586       0.50000000 1.0 
      0.20645468      -0.20645468       0.50000000 1.0 
      0.19662351      -0.19662351       0.50000000 1.0 
      0.18679233      -0.18679233       0.50000000 1.0 
      0.17696116      -0.17696116       0.50000000 1.0 
      0.16712998      -0.16712998       0.50000000 1.0 
      0.15729881      -0.15729881       0.50000000 1.0 
      0.14746763      -0.14746763       0.50000000 1.0 
      0.13763646      -0.13763646       0.50000000 1.0 
      0.12780528      -0.12780528       0.50000000 1.0 
      0.11797411      -0.11797411       0.50000000 1.0 
      0.10814293      -0.10814293       0.50000000 1.0 
      0.09831175      -0.09831175       0.50000000 1.0 
      0.08848058      -0.08848058       0.50000000 1.0 
      0.07864940      -0.07864940       0.50000000 1.0 
      0.06881823      -0.06881823       0.50000000 1.0 
      0.05898705      -0.05898705       0.50000000 1.0 
      0.04915588      -0.04915588       0.50000000 1.0 
      0.03932470      -0.03932470       0.50000000 1.0 
      0.02949353      -0.02949353       0.50000000 1.0 
      0.01966235      -0.01966235       0.50000000 1.0 
      0.00983118      -0.00983118       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01470749       0.01470749       0.51282840 1.0 
      0.02941498       0.02941498       0.52565680 1.0 
      0.04412247       0.04412247       0.53848520 1.0 
      0.05882996       0.05882996       0.55131359 1.0 
      0.07353745       0.07353745       0.56414199 1.0 
      0.08824494       0.08824494       0.57697039 1.0 
      0.10295243       0.10295243       0.58979879 1.0 
      0.11765992       0.11765992       0.60262719 1.0 
      0.13236741       0.13236741       0.61545559 1.0 
      0.14707490       0.14707490       0.62828399 1.0 
      0.16178239       0.16178239       0.64111239 1.0 
      0.17648989       0.17648989       0.65394078 1.0 
      0.19119738       0.19119738       0.66676918 1.0 
      0.20590487       0.20590487       0.67959758 1.0 
      0.22061236       0.22061236       0.69242598 1.0 
      0.23531985       0.23531985       0.70525438 1.0 
      0.25002734       0.25002734       0.71808278 1.0 
      0.26473483       0.26473483       0.73091118 1.0 
      0.27944232       0.27944232       0.74373958 1.0 
      0.29414981       0.29414981       0.75656797 1.0 
      0.30885730       0.30885730       0.76939637 1.0 
      0.32356479       0.32356479       0.78222477 1.0 
      0.33827228       0.33827228       0.79505317 1.0 
      0.35297977       0.35297977       0.80788157 1.0 
      0.36768726       0.36768726       0.82070997 1.0 
      0.38239475       0.38239475       0.83353837 1.0 
      0.39710224       0.39710224       0.84636676 1.0 
      0.41180973       0.41180973       0.85919516 1.0 
      0.42651722       0.42651722       0.87202356 1.0 
      0.44122471       0.44122471       0.88485196 1.0 
      0.45593220       0.45593220       0.89768036 1.0 
      0.47063969       0.47063969       0.91050876 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50907209       0.49092791       0.00000000 1.0 
      0.51814419       0.48185581       0.00000000 1.0 
      0.52721628       0.47278372       0.00000000 1.0 
      0.53628838       0.46371162       0.00000000 1.0 
      0.54536047       0.45463953       0.00000000 1.0 
      0.55443257       0.44556743       0.00000000 1.0 
      0.56350466       0.43649534       0.00000000 1.0 
      0.57257676       0.42742324       0.00000000 1.0 
      0.58164885       0.41835115       0.00000000 1.0 
      0.59072095       0.40927905       0.00000000 1.0 
      0.40927905      -0.40927905      -0.00000000 1.0 
      0.39929663      -0.39929663      -0.00000000 1.0 
      0.38931422      -0.38931422      -0.00000000 1.0 
      0.37933180      -0.37933180      -0.00000000 1.0 
      0.36934939      -0.36934939      -0.00000000 1.0 
      0.35936697      -0.35936697      -0.00000000 1.0 
      0.34938456      -0.34938456      -0.00000000 1.0 
      0.33940214      -0.33940214      -0.00000000 1.0 
      0.32941972      -0.32941972      -0.00000000 1.0 
      0.31943731      -0.31943731      -0.00000000 1.0 
      0.30945489      -0.30945489      -0.00000000 1.0 
      0.29947248      -0.29947248      -0.00000000 1.0 
      0.28949006      -0.28949006      -0.00000000 1.0 
      0.27950764      -0.27950764      -0.00000000 1.0 
      0.26952523      -0.26952523      -0.00000000 1.0 
      0.25954281      -0.25954281      -0.00000000 1.0 
      0.24956040      -0.24956040      -0.00000000 1.0 
      0.23957798      -0.23957798      -0.00000000 1.0 
      0.22959557      -0.22959557      -0.00000000 1.0 
      0.21961315      -0.21961315      -0.00000000 1.0 
      0.20963073      -0.20963073      -0.00000000 1.0 
      0.19964832      -0.19964832      -0.00000000 1.0 
      0.18966590      -0.18966590      -0.00000000 1.0 
      0.17968349      -0.17968349      -0.00000000 1.0 
      0.16970107      -0.16970107      -0.00000000 1.0 
      0.15971865      -0.15971865      -0.00000000 1.0 
      0.14973624      -0.14973624      -0.00000000 1.0 
      0.13975382      -0.13975382      -0.00000000 1.0 
      0.12977141      -0.12977141      -0.00000000 1.0 
      0.11978899      -0.11978899      -0.00000000 1.0 
      0.10980657      -0.10980657      -0.00000000 1.0 
      0.09982416      -0.09982416      -0.00000000 1.0 
      0.08984174      -0.08984174      -0.00000000 1.0 
      0.07985933      -0.07985933      -0.00000000 1.0 
      0.06987691      -0.06987691      -0.00000000 1.0 
      0.05989450      -0.05989450      -0.00000000 1.0 
      0.04991208      -0.04991208      -0.00000000 1.0 
      0.03992966      -0.03992966      -0.00000000 1.0 
      0.02994725      -0.02994725      -0.00000000 1.0 
      0.01996483      -0.01996483      -0.00000000 1.0 
      0.00998242      -0.00998242      -0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01562500       0.00000000       0.00000000 1.0 
      0.03125000       0.00000000       0.00000000 1.0 
      0.04687500      -0.00000000       0.00000000 1.0 
      0.06250000       0.00000000       0.00000000 1.0 
      0.07812500       0.00000000      -0.00000000 1.0 
      0.09375000      -0.00000000       0.00000000 1.0 
      0.10937500      -0.00000000      -0.00000000 1.0 
      0.12500000       0.00000000       0.00000000 1.0 
      0.14062500       0.00000000       0.00000000 1.0 
      0.15625000       0.00000000      -0.00000000 1.0 
      0.17187500       0.00000000       0.00000000 1.0 
      0.18750000      -0.00000000       0.00000000 1.0 
      0.20312500      -0.00000000       0.00000000 1.0 
      0.21875000      -0.00000000      -0.00000000 1.0 
      0.23437500      -0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26562500       0.00000000       0.00000000 1.0 
      0.28125000       0.00000000       0.00000000 1.0 
      0.29687500      -0.00000000       0.00000000 1.0 
      0.31250000       0.00000000      -0.00000000 1.0 
      0.32812500       0.00000000       0.00000000 1.0 
      0.34375000       0.00000000       0.00000000 1.0 
      0.35937500      -0.00000000      -0.00000000 1.0 
      0.37500000      -0.00000000       0.00000000 1.0 
      0.39062500       0.00000000      -0.00000000 1.0 
      0.40625000      -0.00000000       0.00000000 1.0 
      0.42187500      -0.00000000       0.00000000 1.0 
      0.43750000      -0.00000000      -0.00000000 1.0 
      0.45312500       0.00000000       0.00000000 1.0 
      0.46875000      -0.00000000       0.00000000 1.0 
      0.48437500      -0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48484848      -0.00000000       0.48484848 1.0 
      0.46969697       0.00000000       0.46969697 1.0 
      0.45454545       0.00000000       0.45454545 1.0 
      0.43939394      -0.00000000       0.43939394 1.0 
      0.42424242      -0.00000000       0.42424242 1.0 
      0.40909091       0.00000000       0.40909091 1.0 
      0.39393939      -0.00000000       0.39393939 1.0 
      0.37878788       0.00000000       0.37878788 1.0 
      0.36363636       0.00000000       0.36363636 1.0 
      0.34848485       0.00000000       0.34848485 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.31818182       0.00000000       0.31818182 1.0 
      0.30303030       0.00000000       0.30303030 1.0 
      0.28787879       0.00000000       0.28787879 1.0 
      0.27272727       0.00000000       0.27272727 1.0 
      0.25757576      -0.00000000       0.25757576 1.0 
      0.24242424       0.00000000       0.24242424 1.0 
      0.22727273       0.00000000       0.22727273 1.0 
      0.21212121       0.00000000       0.21212121 1.0 
      0.19696970       0.00000000       0.19696970 1.0 
      0.18181818       0.00000000       0.18181818 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.15151515       0.00000000       0.15151515 1.0 
      0.13636364       0.00000000       0.13636364 1.0 
      0.12121212       0.00000000       0.12121212 1.0 
      0.10606061       0.00000000       0.10606061 1.0 
      0.09090909       0.00000000       0.09090909 1.0 
      0.07575758       0.00000000       0.07575758 1.0 
      0.06060606       0.00000000       0.06060606 1.0 
      0.04545455      -0.00000000       0.04545455 1.0 
      0.03030303       0.00000000       0.03030303 1.0 
      0.01515152      -0.00000000       0.01515152 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

