&control
  calculation = 'scf'
  restart_mode= 'from_scratch'
  outdir='./'
  prefix='2Ovac'
  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 = 'pbe0'              
  exx_fraction = 0.10           
  nspin=2
  starting_magnetization(2)=0.01
  !nosym=.false.                     
/
&electrons
  diagonalization='david'      ! Davidson algorithm (=Default)   
  mixing_mode = 'plain'       
  mixing_beta = 0.3            ! Mixing factor, how much new wavefunciton is mixed in
  conv_thr =  1.0d-7
  electron_maxstep = 300
  diago_full_acc = .true.      ! all states are diagonalized at same level of accuracy
/

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  -0.011243199   3.834235263   1.979842848
Bi   0.000607045   8.953184579   1.973974115
Bi   5.117815561   3.825305216   1.984239480
Bi   5.102148614   8.963885809   2.001379556
Bi   2.556423215   3.838305472   4.869527321
Bi   2.552289532   8.953548240   4.880259688
Bi   7.673034971   3.837222752   4.873306092
Bi   7.678057078   8.953870058   4.873711922
Bi   2.557902026   1.280693852   7.774535406
Bi   2.560138731   6.394050214   7.774059092
Bi   7.676744492   1.279525765   7.775133348
Bi   7.674240429   6.396566708   7.773451942
Bi   0.000495363   1.275920473  10.672912021
Bi  -0.002290639   6.397777167  10.667911532
Bi   5.118882226   1.277420322  10.669604454
Bi   5.118864155   6.404314499  10.671294179
Bi   0.006377391   3.840283926  13.566479962
Bi   0.004798216   8.955739598  13.580110524
Bi   5.116828137   3.835485184  13.563403506
Bi   5.108001700   8.968108148  13.585438218
Bi   2.544382750   3.863684655  16.440775444
Bi   2.549484175   8.925347416  16.525314643
Bi   7.700067029   3.843101209  16.435703439
Bi   7.681912771   8.952847211  16.465047756
Bi   2.554799177   1.280849370  19.359524747
Bi   2.837241079   6.204542592  19.441993529
Bi   7.681933002   1.274310454  19.345785922
Bi   7.679397443   6.407451846  19.343140367
Bi  -0.009464683   1.273103427  22.230181732
Bi   0.004764370   6.417173413  22.210116339
Bi   5.133583377   1.246904440  22.253612491
Bi   5.103929400   6.440089043  22.309629898
V    2.548428713   1.283576269   1.978058488
V    2.558172619   6.387333003   1.984709067
V    7.678993050   1.272504720   1.981371299
V    7.665207708   6.392883549   1.965666899
V   -0.001537134   1.280728197   4.861887891
V   -0.000585383   6.393400377   4.864551636
V    5.115704276   1.277173259   4.872970100
V    5.117215093   6.395272589   4.869272806
V   -0.001479591   3.837701766   7.766657960
V   -0.001027737   8.955490300   7.768256711
V    5.117188117   3.837693770   7.767300577
V    5.115976061   8.956855184   7.765708131
V    2.560174808   3.838396806  10.663607319
V    2.557117782   8.956172045  10.664456584
V    7.677441387   3.839033565  10.661908773
V    7.676144836   8.957550031  10.665823821
V    2.557958859   1.279676875  13.572117417
V    2.557300596   6.397217824  13.565077869
V    7.679622953   1.281522735  13.571436410
V    7.677681721   6.399129246  13.575597267
V    0.007945970   1.281837185  16.451495846
V    0.000222089   6.401012957  16.446121367
V    5.131902785   1.296269830  16.460723587
V    5.129151928   6.409062083  16.429709771
V    0.001903795   3.856690774  19.368510215
V    0.020340818   8.949389490  19.374163240
V    5.126846768   3.841022417  19.521681500
V    5.129981121   8.957001516  19.351847645
V    2.585664073   3.859100879  22.278109819
V    2.554672743   8.968148731  22.237842486
V    7.612688814   3.811583880  22.204045946
V    7.660544888   8.934092217  22.256387833
O    3.838422313   4.580286389   0.044690195
O    1.298570090   3.112363996  -0.031338567
O    3.806650286   9.658932678   0.018771705
O    1.281133244   8.255761160  -0.021542123
O    8.841350594   4.578867809  -0.062642395
O    6.380895490   3.080995469  -0.001931346
O    8.936172079   9.652623475  -0.013368813
O    6.361485357   8.238029410  -0.000445326
O    1.271549335   0.566219151   1.071627117
O    3.815468924   1.996410131   1.045917122
O    1.292602891   5.675464053   1.061478117
O    3.833440773   7.116507963   1.063332384
O    6.407970038   0.547242846   1.060339686
O    8.947596897   1.992942623   1.063134111
O    6.378926070   5.682588916   1.040497828
O    8.935733512   7.111748100   1.054865991
O    1.828629768   2.574366920   2.884835822
O    3.273198271   0.015107684   2.904066624
O    1.838296955   7.667082137   2.897261055
O    3.282259773   5.116897131   2.907512168
O    6.957848324   2.542166638   2.904772685
O    8.401723547  -0.004191446   2.898828126
O    6.952687354   7.662260858   2.896265292
O    8.384144856   5.108274270   2.874580904
O    0.718181921   0.004185726   3.946863787
O    4.392623753   2.549146629   3.951175136
O    0.709652118   5.114745910   3.938413349
O    4.393910836   7.672260195   3.953378126
O    5.837485487   0.000724441   3.955333066
O    9.521171527   2.562872928   3.939940600
O    5.838307439   5.120334299   3.950524429
O    9.515918569   7.667365215   3.947234253
O    1.270286661   1.992766334   5.785796996
O    3.844236511   0.559878628   5.793586775
O    1.274814998   7.109294371   5.784154804
O    3.845743648   5.677330422   5.790444418
O    6.387999867   1.997633220   5.790692785
O    8.959432191   0.565715583   5.782365170
O    6.388660168   7.113553336   5.790179587
O    8.959827579   5.680384349   5.784640860
O    3.842989427   3.118939705   6.848388645
O    1.271446991   4.556063291   6.845736970
O    3.840612477   8.237086563   6.847552579
O    1.272270890   9.673037800   6.846755345
O    8.958997555   3.120317544   6.846412897
O    6.391681595   4.556097371   6.847021093
O    8.961660136   8.238023820   6.846002287
O    6.390790737   9.674935194   6.846824606
O    4.399273040   5.113725432   8.684900082
O    0.717502919   2.562422417   8.684150482
O    4.397810587  10.231041119   8.685307427
O    0.718620724   7.680379563   8.685080411
O    9.515385852   5.113900178   8.684233576
O    5.836331867   2.562395811   8.685464154
O    9.514869435  10.231103734   8.685276379
O    5.835445442   7.682726255   8.684458698
O    3.279462701   2.562475288   9.745451085
O    1.838271459   5.112888303   9.745850676
O    3.278543317   7.678181431   9.748368960
O    1.835977008  10.232526908   9.746865431
O    8.396272052   2.561811640   9.745196646
O    6.957001342   5.115183665   9.744873837
O    8.394383668   7.680306589   9.747055594
O    6.956714952  10.237160882   9.750028800
O    3.833529642   4.559149659  11.580940550
O    1.287236291   3.119033537  11.582556758
O    3.827229407   9.677132680  11.582837278
O    1.286097557   8.238789157  11.586028105
O    8.953218217   4.555119360  11.579066461
O    6.403738801   3.121185309  11.580842632
O    8.949212689   9.672611416  11.588534358
O    6.401879447   8.242773326  11.581259471
O    1.281701491   0.562608231  12.652824685
O    3.828976891   2.000315748  12.648512087
O    1.280496629   5.684365787  12.643855179
O    3.832732380   7.115119534  12.649614899
O    6.404499058   0.570158885  12.652746659
O    8.950579652   1.996440110  12.648400445
O    6.412318061   5.683899113  12.647215560
O    8.948126835   7.110245808  12.650604318
O    1.835869464   2.554708522  14.498546429
O    3.279101666   0.016555573  14.490503720
O    1.844105176   7.664008194  14.494627074
O    3.274710990   5.109527937  14.475029433
O    6.962269014   2.559320700  14.494447954
O    8.401220631   0.008773243  14.490588588
O    6.954151838   7.678614009  14.483424878
O    8.400908221   5.113083954  14.492774590
O    0.729573026  -0.001776432  15.547779351
O    4.410549221   2.580186125  15.553507673
O    0.734282142   5.105753870  15.539490360
O    4.417200124   7.693451599  15.521021501
O    5.833512182   0.000427043  15.548771617
O    9.503554039   2.574167143  15.548730010
O    5.841787312   5.136630447  15.511947357
O    9.495837220   7.666309662  15.520107886
O    1.259554215   1.999812388  17.392160946
O    3.860588569   0.626779007  17.414152779
O    1.246193696   7.136672760  17.344223774
O    3.811707517   5.704941151  17.294836627
O    6.407480478   2.008348213  17.375558689
O    8.986042373   0.557530721  17.375493366
O    6.413000919   7.101079793  17.365616584
O    8.963068960   5.682378571  17.383371798
O    3.818724170   3.284242604  18.589052657
O    1.283691775   4.567599873  18.466113301
O    3.903830500   8.210636831  18.403629960
O    1.334887800   9.676157551  18.475037278
O    8.946017226   3.152499546  18.457177232
O    6.243973710   4.604122631  18.505469067
O    8.959316271   8.227890136  18.468647417
O    6.404600101   9.680824335  18.435043231
O    0.718695626   2.580917829  20.292750980
O    4.377611374  10.211718501  20.273348904
O    0.690935340   7.740949431  20.357611009
O    9.505122755   5.119488002  20.310772507
O    5.860458472   2.456262721  20.285614656
O    9.531931745  10.233945709  20.281183394
O    5.840087374   7.672200052  20.263333660
O    3.391355182   2.694360858  21.290603055
O    1.881922099   5.143721367  21.354973575
O    3.292146763   7.685475843  21.336258116
O    1.865571754  10.296505470  21.355986672
O    8.383004704   2.527720069  21.341611238
O    6.746683128   4.973671548  21.207693712
O    8.351518226   7.623628380  21.361387998
O    6.954736939  10.199774930  21.324303469

K_POINTS gamma
