&control
  calculation = 'relax'
  title = 'qe-bivo4'
  restart_mode= 'from_scratch'
  pseudo_dir = '/tigress/fhegner/SG15'
  outdir='./'
  prefix='bulk-bridge'
  nstep = 200
  !verbosity='high'
  disk_io='none'
  !wf_collect = .true.
/
&system
  ibrav=0            ! no Bravais lattice specified
  nat = 191          ! number of atoms               
  ntyp = 3           ! number of species               
  ecutwfc = 80       ! kinetic wavefunction cutoff               
  occupations= 'smearing'       ! Gaussian smearing by default (for SC)
  degauss = 0.001               ! Smearing parameter (in Ry) -> sigma (eV)
  input_dft = 'pbesol'              
  nspin=2 
  starting_magnetization(2)=0.01 
/
&electrons
  diagonalization='david'      ! Davidson algorithm (=Default)   
  mixing_mode = 'plain'       
  mixing_beta = 0.4            ! Mixing factor, how much new wavefunciton is mixed in
  conv_thr =  1.0d-7
  !diago_full_acc = .true.      ! all states are diagonalized at same level of accuracy
/
&ions
/
CELL_PARAMETERS {angstrom}
  10.2349996566   0.0000000000    0.0000000000
  -0.0015361676   10.2363995354   0.0000000000
  0.0000000000    0.0000000000    23.175670918

ATOMIC_SPECIES
Bi 208.98     Bi_ONCV_PBE-1.0.upf
V  50.94      V_ONCV_PBE-1.0.upf
O  16.00      O_ONCV_PBE-1.0.upf

ATOMIC_POSITIONS {angstrom}
Bi   0.032125484   3.820409875   1.934363919
Bi   0.018378704   8.961094309   1.951569470
Bi   5.145168883   3.843623555   1.951755356
Bi   5.137659128   9.025730791   2.010251514
Bi   2.575438640   3.845047188   4.868055126
Bi   2.571612701   8.961740836   4.880844293
Bi   7.700603824   3.845849971   4.856739947
Bi   7.705020420   8.959162833   4.872296518
Bi   2.567439513   1.285073323   7.756061906
Bi   2.572592536   6.399610020   7.753625542
Bi   7.687239662   1.286572469   7.755756828
Bi   7.682813644   6.395332127   7.754928988
Bi   0.005053848   1.274623320  10.654836227
Bi   0.003866345   6.398727707  10.644413924
Bi   5.124214894   1.282078103  10.651014526
Bi   5.122491916   6.400441785  10.654117813
Bi   0.010801494   3.843730123  13.529926557
Bi  -0.008654137   8.942647750  13.552268513
Bi   5.095850647   3.829944157  13.554485654
Bi   5.113035802   8.960123923  13.552311983
Bi   2.538530987   3.841589766  16.454536816
Bi   2.569974113   8.940150778  16.429493297
Bi   7.704246241   3.806903833  16.375524995
Bi   7.650874610   8.903768496  16.474245793
Bi   2.458809967   1.215323685  19.281009716
Bi   2.437525299   6.429584842  19.318468000
Bi   7.662851044   1.236033387  19.341263449
Bi   7.505923311   6.311782721  19.446172672
Bi   0.047829481   1.333978177  22.251867939
Bi   0.102486482   6.381837918  22.236024101
Bi   5.193232542   1.271171362  22.198447168
Bi   5.158827225   6.507805271  22.442724994
V    2.577157486   1.310522824   1.939764818
V    2.601469266   6.396482722   1.972599102
V    7.711884113   1.280578011   1.986739819
V    7.706696383   6.403165541   2.009007025
V    0.020239230   1.286651935   4.875695746
V    0.023577098   6.397668245   4.874440132
V    5.126976883   1.291709670   4.890824899
V    5.134334163   6.408236193   4.873940495
V    0.015025604   3.843101547   7.763528406
V    0.012531401   8.960130821   7.763714826
V    5.129977224   3.839883924   7.763515464
V    5.126284198   8.960335853   7.763571615
V    2.558710420   3.839527261  10.658927417
V    2.560758737   8.957398070  10.666054180
V    7.678090637   3.840754157  10.664023279
V    7.677935800   8.959879033  10.660906251
V    2.548007608   1.265112404  13.555257203
V    2.558598600   6.392834049  13.543536318
V    7.680249996   1.278770111  13.565720560
V    7.669826753   6.379771019  13.561259303
V   -0.019131392   1.272086489  16.402461086
V   -0.031718614   6.390122940  16.478506900
V    5.104179151   1.288353568  16.464677784
V    5.080192247   6.375877327  16.443462460
V   -0.044594426   3.828314613  19.370975271
V   -0.025592314   8.898118966  19.296373674
V    4.860974169   3.551520799  19.588481061
V    5.074726272   8.925395104  19.336074974
V    2.661630113   3.934991154  22.326032177
V    2.595720136   9.001362515  22.273501806
V    7.691715636   3.839333615  22.272707950
V    7.726527985   8.938190118  22.280288021
O    3.951475532   4.684420283   0.096205559
O    1.256880545   3.098205895  -0.122194989
O    3.873181126   9.673400455   0.043945943
O    1.301600106   8.245356699  -0.015505427
O    8.945088627   4.560984621   0.027057249
O    6.430193918   3.087715387   0.012975579
O    8.982136196   9.648666352   0.035625458
O    6.426928672   8.246660504   0.050200308
O    1.287864050   0.583963475   1.054015802
O    3.792536763   2.069945444   0.971076336
O    1.354421331   5.646565644   1.031269757
O    3.889795926   7.177315614   1.090559099
O    6.422938612   0.586433125   1.070499728
O    8.994740507   1.991640359   1.067424359
O    6.404969591   5.698388584   1.069741927
O    8.986982026   7.110715140   1.113640697
O    1.870077872   2.588385842   2.865476908
O    3.301783822   0.044490872   2.870144590
O    1.864831929   7.646991892   2.885642683
O    3.315202522   5.146485997   2.914378373
O    7.006502200   2.547024337   2.915872466
O    8.410243644  -0.015904816   2.897049179
O    6.985494511   7.663646672   2.931514331
O    8.404974585   5.103613277   2.904529139
O    0.733957825   0.018556067   3.955184294
O    4.413801111   2.552466629   3.957714422
O    0.729257847   5.125724861   3.950085530
O    4.418872849   7.699150930   3.971955630
O    5.855065824   0.018804469   3.978904025
O    9.554868885   2.560403052   3.946883329
O    5.853237281   5.130983425   3.961468421
O    9.549916947   7.676226198   3.959551103
O    1.306385586   2.002772787   5.790531894
O    3.846133063   0.560599686   5.800410723
O    1.311251802   7.117084343   5.788479762
O    3.860791777   5.684284378   5.795744177
O    6.403706197   2.009277968   5.806873548
O    8.969408358   0.570801626   5.790273537
O    6.409037793   7.117806181   5.802306585
O    8.975283951   5.684553788   5.792259168
O    3.854170718   3.122976966   6.840715340
O    1.296777194   4.559094245   6.846727647
O    3.846299899   8.245862532   6.842013202
O    1.293041596   9.676654949   6.844869305
O    8.981854065   3.121949372   6.842739147
O    6.418094876   4.555713874   6.861316530
O    8.978287816   8.241478623   6.842172486
O    6.411026844   9.677332306   6.857776840
O    4.409964981   5.113221608   8.682511595
O    0.722945677   2.563840817   8.684026095
O    4.407977114  10.234581113   8.682820709
O    0.722869709   7.679981283   8.681282213
O    9.525992299   5.120166408   8.677988168
O    5.837033680   2.560717042   8.686266250
O    9.525410456  10.236491042   8.677915564
O    5.833081530   7.679948791   8.683445551
O    3.278950927   2.563504438   9.746737491
O    1.842756995   5.115799891   9.740827448
O    3.277423856   7.681400878   9.750132595
O    1.844874736  10.234771681   9.747932635
O    8.396015313   2.568443430   9.745497719
O    6.967390044   5.124613250   9.750749572
O    8.396454652   7.687782535   9.742293152
O    6.964854660  10.245925799   9.751469851
O    3.834499897   4.557003317  11.577555083
O    1.277852350   3.117553578  11.573149757
O    3.842547632   9.673147296  11.581374218
O    1.281805900   8.235365335  11.579372414
O    8.960163729   4.555108752  11.581791499
O    6.398858195   3.122006074  11.576732713
O    8.955980992   9.668680528  11.585307685
O    6.403432563   8.239318317  11.577766660
O    1.277646735   0.552353352  12.627381085
O    3.822025825   1.993779828  12.645238686
O    1.285410967   5.680509659  12.617966133
O    3.845156378   7.116772373  12.643427154
O    6.403622494   0.572906181  12.647150938
O    8.958004148   1.995678877  12.649385866
O    6.394637754   5.676905429  12.638642362
O    8.953186021   7.093560399  12.653748025
O    1.820031487   2.532903690  14.477079462
O    3.276080672  -0.020768011  14.458150169
O    1.838102595   7.660226315  14.466728570
O    3.261832387   5.103171393  14.456125000
O    6.958459824   2.564201452  14.491858241
O    8.392076240   0.004592732  14.480225344
O    6.957662786   7.649631163  14.481146120
O    8.375596112   5.083313690  14.482820091
O    0.728119013   0.018847630  15.489524866
O    4.388638308   2.567835772  15.542718048
O    0.701509004   5.152876493  15.532908048
O    4.413940519   7.692859780  15.528349047
O    5.827605566   0.031288697  15.538878288
O    9.491099729   2.612164835  15.533544887
O    5.808081675   5.102995994  15.535216194
O    9.515602156   7.683781887  15.553236978
O    1.215080758   1.974283728  17.386987919
O    3.800084291   0.556191172  17.348195355
O    1.243920206   7.120068719  17.434770460
O    3.751692395   5.681452715  17.290655982
O    6.360780967   2.017684045  17.405917800
O    8.947976941   0.548091062  17.285949630
O    6.355152047   7.048094395  17.399498296
O    8.908393809   5.670446736  17.334299233
O    3.645354653   3.085957451  18.436046822
O    1.186174628   4.593877190  18.425266946
O    3.783233226   8.242093996  18.404429420
O    1.255344060   9.658352582  18.395577347
O    8.879016934   3.159566257  18.465445537
O    5.911288661   4.741459206  18.931596928
O    8.905413613   8.241603694  18.399696891
O    6.350137282   9.656103274  18.421492173
O    0.740143235   2.532420804  20.240071582
O    4.397574059  10.179661784  20.277579213
O    0.723906449   7.582177811  20.205318774
O    9.514767034   5.056278663  20.353201499
O    5.942533324   2.273875315  20.240719375
O    9.582157505  10.121142771  20.273674308
O    5.789580685   7.618200641  20.239014966
O    3.707505471   2.991466747  21.136561176
O    1.935640058   5.263718350  21.352240210
O    3.276829095   7.760773012  21.317613179
O    1.906017757  10.326391598  21.388948329
O    8.407641807   2.583513363  21.335933132
O    6.876917660   5.109867381  21.401601211
O    8.385697510   7.655121146  21.352909497
O    7.011122758  10.208257639  21.349999200

K_POINTS gamma
