&control
  calculation = 'scf'
  title = 'bridge-surf'
  restart_mode= 'from_scratch'
  outdir='./'
  prefix='2Ovac'
  nstep = 200
  !verbosity='high'
  wf_collect = .true.
  tefield = .true.              ! adds electrical fie
  dipfield = .true.             ! adds dipolar field
/
&system
  ibrav=0            ! no Bravais lattice specified
  nat = 143          ! 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
  edir = 3                      ! tefield in z-direction
  emaxpos = 0.9                  ! position of maximum potential 
  eopreg = 0.015                ! distance in between which saw-like pot decreases
  eamp = 0.0                    ! amplitude of electric field   

/
&electrons
  diagonalization='david'      ! Davidson algorithm (=Default)   
  mixing_mode = 'local-TF'       
  electron_maxstep = 300
  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    31.3234004974

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         2.558557893   1.279549942   0.918715345   0  0  0
Bi         2.557789809   6.397749710   0.918715345   0  0  0
Bi         7.676057722   1.279549942   0.918715345   0  0  0
Bi         7.675289638   6.397749710   0.918715345   0  0  0
Bi        10.239094244   1.284547624   3.727271593
Bi         0.006192981   6.394544754   3.727224130
Bi         5.122728243   1.281218195   3.725304352
Bi         5.122746980   6.396298284   3.723333732
Bi         0.019497790   3.835576546   6.701125119
Bi         0.012991510   8.959383538   6.676959924
Bi         5.128966013   3.837371027   6.691913190
Bi         5.130328207   8.954539058   6.685751145
Bi         2.600613293   3.866123592   9.584856206
Bi         2.579450641   8.967878033   9.526124205
Bi         7.678475222   3.793624022   9.566343756
Bi         7.687878296   8.939217985   9.533036575
Bi         2.570602322   1.272605834  12.538338861
Bi         2.595048571   6.413959257  12.524408283
Bi         7.667139039   1.312259143  12.502827674
Bi         7.776077534   6.358641005  12.500865613
Bi        10.059887096   1.050097645  15.307457840  
Bi         0.006949890   6.387276930  15.243456936
Bi         5.054471167   1.305579747  15.241705143
Bi         5.188355391   6.417498053  15.163866039
V         -0.000576063   3.838649826   0.919028596   0  0  0
V         -0.001344147   8.956849593   0.919028596   0  0  0
V          5.116923766   3.838649826   0.919028596   0  0  0
V          5.116155682   8.956849593   0.919028596   0  0  0
V          2.564287357   3.838793025   3.707171030
V          2.560592244   8.957241342   3.707435349
V          7.684997007   3.842188301   3.707597075
V          7.687210268   8.958801902   3.707602183
V          2.560502790   1.279930180   6.702081138
V          2.568678364   6.398301830   6.700728936
V          7.691501941   1.275055709   6.700710590
V          7.700044360   6.391899929   6.702433403
V         10.225080744   1.291927093   9.575649757
V          0.056477508   6.374175413   9.564207611
V          5.124138521   1.267779606   9.520270226
V          5.144438266   6.390440391   9.518269403
V          0.030654409   3.897175377  12.355549551
V          0.024597181   8.949723899  12.522772746
V          5.128146777   3.835637665  12.496079733
V          5.134856191   8.951364944  12.605405739
V          1.911432436   3.493192110  14.939426485
V          2.602275222   9.042007371  15.300645218
V          7.700859663   3.883547910  15.328490845
V          7.588532633   8.854416288  15.292021898
O          3.841238482   3.122716034   0.000000000  0  0  0 
O          1.275109205   4.554686120   0.000000000  0  0  0
O          3.840470398   8.240916107   0.000000000  0  0  0
O          1.274341121   9.672885583   0.000000000  0  0  0
O          8.958738311   3.122716034   0.000000000  0  0  0
O          6.392609033   4.554686120   0.000000000  0  0  0
O          8.957970227   8.240916107   0.000000000  0  0  0
O          6.391840950   9.672885583   0.000000000  0  0  0
O          4.400793909   5.114617043   1.837743883  0  0  0
O          0.715553625   2.562785111   1.837743883  0  0  0
O          4.400025826  10.232816811   1.837743883  0  0  0
O          0.714785542   7.680984879   1.837743883  0  0  0
O          9.518294043   5.114617043   1.837743883  0  0  0
O          5.833053301   2.562785111   1.837743883  0  0  0
O          9.517525959  10.232816811   1.837743883  0  0  0
O          5.832285217   7.680984879   1.837743883  0  0  0
O          3.265830235   2.503540594   2.813671043
O          1.856143843   5.171424297   2.813866374
O          3.262192637   7.621238947   2.815592584
O          1.856842297   0.054228158   2.814779299
O          8.384662070   2.506903829   2.812925386
O          6.975293080   5.176398619   2.815796838
O          8.384974498   7.624826065   2.812807149
O          6.978633076   0.057353213   2.818669441
O          3.829910053   4.506514412   4.639674385
O          1.302347615   3.169050618   4.647492334
O          3.826049045   9.625266653   4.639015795
O          1.295954837   8.291189047   4.650779944
O          8.949140812   4.508268537   4.646491933
O          6.423498824   3.170067776   4.641810396
O          8.956440019   9.620500120   4.649097263
O          6.427134184   8.285639356   4.641685955
O          3.820832219   1.969158220   5.768912535
O          3.829010383   7.092036262   5.767538107
O          8.954630266   1.974494184   5.775743881
O          8.971623267   7.089230954   5.778425651
O          1.291024393   0.580761501   5.776713160
O          1.308445746   5.699155518   5.770391805
O          6.430079125   0.585847645   5.766600965
O          6.434749445   5.704551690   5.772121716
O          3.293323824  10.211239833   7.597938059
O          3.308440224   5.109006766   7.604384910
O          8.420377290  10.211637532   7.606039012
O          8.423246884   5.104354261   7.619808375
O          1.839177491   2.571399121   7.611190872
O          1.836932409   7.702823174   7.601555340
O          6.958701488   2.569468151   7.605069127
O          6.969607551   7.700039847   7.595777427
O          4.415366784   2.568173100   8.614392061
O          4.408682309   7.692271838   8.621353550
O          9.498051884   2.570896210   8.639345527
O          9.506879340   7.644785632   8.675094390
O          0.759699603  10.255939378   8.672166388
O          0.789326586   5.108555802   8.621339667
O          5.855493653  10.206418198   8.617430272
O          5.847799597   5.084678016   8.609977349
O          3.846575806   0.579889077  10.423743723
O          3.880462241   5.715384942  10.478093317
O          8.951228336   0.578411695  10.473598688
O          9.135820653   5.559331722  10.557651956
O          1.159890172   2.076596642  10.558844605
O          1.326708970   7.086012331  10.460972860
O          6.396352249   1.942474264  10.467309004
O          6.437891413   7.066413017  10.403828411
O          3.899533407   3.106953689  11.560671838
O          3.913215122   8.306031942  11.623929345
O          8.853283622   3.090974622  11.670698028
O          9.043178744   8.238087395  11.564852865
O          1.454765537   4.590934344  11.608627694
O          1.241241793   9.618633668  11.551678801
O          6.360854534   4.522116573  11.548424922
O          6.349853499   9.574010988  11.613608975
O          0.883737113   2.677913199  13.544392235
O          0.786576300   7.668677918  13.443954962
O          5.903973820   2.582466280  13.441373368
O          5.908398432   7.566927249  13.435583038
O          4.369921708   5.135001402  13.391695059
O          4.381748484   0.110219933  13.417435819
O          9.575043961   5.234080356  13.422894265
O          9.469169237   0.053638952  13.382262304
O          1.693883256  10.245216342  14.340129569
O          6.941204364   5.208814195  14.362011684
O          6.777695573  -0.111494243  14.402775629
O          3.362719369   2.460149810  14.389769029
O          3.498090055   7.777365602  14.408536634
O          8.428552667   2.412152453  14.545977334
O          8.497037794   7.677265697  14.338683871
O          1.198389944   2.830787940  16.277840790
O          1.493674104   8.289392976  16.266065936
O          6.472735371   3.361830705  16.301861401
O          6.448360162   7.978325421  16.202412322
O          1.889595037   5.281550692  14.665139212
O          3.719089895   9.936662834  16.214146414
O          8.904790598   4.639770903  16.221871036
O          8.713160023   9.629357065  16.276615349
                                                              
K_POINTS gamma
