&CONTROL
  calculation = 'scf'
  nstep = 50,
  etot_conv_thr = 1.d-5,
  forc_conv_thr = 1.d-4,
  restart_mode='from_scratch',
  prefix='O_2_pristine_7x7',
  pseudo_dir = '/m100/home/userexternal/mbianchi/pseudoterminatore/',
  outdir='./tmp/'
  wf_collect=.true.
  max_seconds = 7000
/
&SYSTEM
  ibrav=  4, 
  celldm(1) = 41.9383306,
  celldm(3) =0.857 ,
  nat=  149, 
  ntyp= 3,
  ecutwfc = 75.0,
  occupations='smearing',
  !ma in relatà non dovrebbe cambiare molto avendo gap oltre 1 eV
  degauss=0.001
  smearing='gauss'
  
  ! lspinorb=.true.
  ! noncolin=.true.
  nspin=2
  starting_magnetization(3)=0.4
  input_dft= 'vdw-df2-b86r'
/
&ELECTRONS
  diagonalization='david'
  conv_thr =  1.0d-8
/
&IONS
  ion_dynamics = 'bfgs'
/
ATOMIC_SPECIES
 W 183.85 W.ONCV.FR.v4.upf   
 S 32.065 S.ONCV.FR.v4.upf
 O 15.999 O_ONCV.FR.v4.upf 
ATOMIC_POSITIONS  { angstrom }
W            -0.0002291309        0.0038140270       -0.0004698745
S             1.5845751596        0.9182309163        1.5771612902
S             1.5855089059        0.9191683286       -1.5759945716
W            -1.5852116327        2.7492460018        0.0012050823
S            -0.0000852915        3.6642139869        1.5780795023
S            -0.0000260584        3.6647886687       -1.5751453018
W            -3.1704256546        5.4948542461        0.0016992687
S            -1.5852087437        6.4101174557        1.5782792425
S            -1.5852108913        6.4099747402       -1.5749784478
W            -4.7559298444        8.2402659492        0.0013859856
S            -3.1706943378        9.1552779110        1.5780492766
S            -3.1705429396        9.1554924048       -1.5749977768
W            -6.3411343051       10.9858330587        0.0008478084
S            -4.7562978361       11.9007073036        1.5780250006
S            -4.7555264630       11.9010369951       -1.5751776735
W            -7.9262002089       13.7316386539        0.0002575077
S            -6.3416593286       14.6466204634        1.5776561009
S            -6.3402538010       14.6467303642       -1.5755753669
W            -9.5112065611       16.4771912985       -0.0002736351
S            -7.9267305100       17.3923238490        1.5771955982
S            -7.9256337057       17.3928951630       -1.5760076005
W             3.1702903564        0.0034530510        0.0008872726
S             4.7553335293        0.9182033590        1.5779558870
S             4.7558207589        0.9186985924       -1.5752526046
W             1.5851576557        2.7492003779        0.0012516051
S             3.1703730324        3.6641290700        1.5781324563
S             3.1706692656        3.6643785542       -1.5749854952
W             0.0000068173        5.4948543466        0.0016964453
S             1.5853782630        6.4100400736        1.5781982960
S             1.5853490759        6.4097689632       -1.5749409147
W            -1.5852156634        8.2403145245        0.0015230416
S             0.0002647798        9.1552821674        1.5780439760
S             0.0001092588        9.1554960217       -1.5749984412
W            -3.1706299231       10.9857293645        0.0016980666
S            -1.5852190532       11.9004524100        1.5784950741
S            -1.5852217957       11.9009461047       -1.5745369876
W            -4.7558485012       13.7312473294        0.0016534253
S            -3.1708241964       14.6462162844        1.5786262082
S            -3.1702653329       14.6460918225       -1.5745679839
W            -6.3409655511       16.4771300870        0.0010340422
S            -4.7559728954       17.3921066828        1.5779639508
S            -4.7552900339       17.3921724141       -1.5750961980
W             6.3407495143        0.0030403621        0.0014565396
S             7.9259627278        0.9178499248        1.5782074914
S             7.9260939213        0.9179795309       -1.5750553244
W             4.7556687825        2.7488419489        0.0016467411
S             6.3409779081        3.6637344326        1.5783607995
S             6.3410031471        3.6638158122       -1.5748250444
W             3.1705712164        5.4946266633        0.0016800771
S             4.7559737518        6.4100402630        1.5779912582
S             4.7559892005        6.4092576410       -1.5749392067
W             1.5855048958        8.2402697462        0.0013808598
S             3.1710397935        9.1556041230        1.5775888215
S             3.1705709959        9.1552602791       -1.5755627734
W             0.0001903745       10.9857345516        0.0016948510
S             1.5858576001       11.9007120310        1.5780207171
S             1.5850846468       11.9010429611       -1.5751815563
W            -1.5852159195       13.7310975814        0.0022544312
S             0.0003936707       14.6462171608        1.5786264221
S            -0.0001676400       14.6460941355       -1.5745698150
W            -3.1705310885       16.4765875229        0.0018214163
S            -1.5852127656       17.3917590075        1.5782504362
S            -1.5852123339       17.3915465106       -1.5746829277
W             9.5111937487        0.0026829347        0.0016241128
S            11.0964199503        0.9178421273        1.5782133464
S            11.0962914860        0.9179722496       -1.5750571890
W             7.9260098595        2.7483355583        0.0017003227
S             9.5111943897        3.6635846298        1.5782010924
S             9.5111962247        3.6635789095       -1.5747387871
W             6.3411401341        5.4942648395        0.0017618098
S             7.9262601928        6.4101285873        1.5780735871
S             7.9261974947        6.4090446364       -1.5751314254
W             4.7559501234        8.2401650149        0.0009099071
S             6.3412456970        9.1560030272        1.5768521530
S             6.3409309712        9.1547523774       -1.5762815057
W             3.1707006830       10.9858385449        0.0008425504
S             4.7563807449       11.9012459491        1.5767792805
S             4.7551523436       11.9011493705       -1.5764546505
W             1.5854157425       13.7312518738        0.0016506603
S             3.1712265250       14.6466179690        1.5776584740
S             3.1698204899       14.6467310459       -1.5755821834
W             0.0001059754       16.4765883853        0.0018218957
S             1.5855462697       17.3921007255        1.5779694956
S             1.5848634331       17.3921693831       -1.5750984665
W            12.6816325922        0.0030333701        0.0014598169
S            14.2670467772        0.9181919970        1.5779658794
S            14.2665596989        0.9186892247       -1.5752541236
W            11.0963787549        2.7483264044        0.0017026152
S            12.6814079248        3.6637225073        1.5783686560
S            12.6813850144        3.6638033588       -1.5748250854
W             9.5111975458        5.4942089390        0.0017113311
S            11.0961331980        6.4101231702        1.5780764956
S            11.0961989356        6.4090392785       -1.5751311805
W             7.9261889963        8.2400900884        0.0006156789
S             9.5111888299        9.1563026783        1.5766584134
S             9.5111906316        9.1545975829       -1.5766207313
W             6.3409350296       10.9858709984       -0.0004583300
S             7.9262955855       11.9016561482        1.5754526177
S             7.9257571655       11.9005449177       -1.5779958573
W             4.7557672464       13.7316346640        0.0002537196
S             6.3418404467       14.6467757401        1.5764692800
S             6.3398265277       14.6471501570       -1.5774532288
W             3.1705363566       16.4771270701        0.0010343921
S             4.7563014306       17.3923158400        1.5772007656
S             4.7552027268       17.3928917539       -1.5760122313
W            15.8520880299        0.0034468541        0.0008904546
S            17.4378057767        0.9182280947        1.5771679917
S            17.4368706951        0.9191672150       -1.5759945059
W            14.2667181490        2.7488316808        0.0016518446
S            15.8520134530        3.6641239157        1.5781440701
S            15.8517165286        3.6643740499       -1.5749865715
W            12.6812527109        5.4942534777        0.0017650188
S            14.2664191190        6.4100330219        1.5779967412
S            14.2664054659        6.4092507418       -1.5749356846
W            11.0961913160        8.2400849577        0.0006173208
S            12.6811343976        9.1560017825        1.5768510107
S            12.6814519319        9.1547519441       -1.5762733823
W             9.5111837873       10.9858996339       -0.0010609049
S            11.0960697937       11.9016602576        1.5754536050
S            11.0966115796       11.9005509386       -1.5779892109
W             7.9255684285       13.7312991082       -0.0020603907
S             9.5111830444       14.6441894737        1.5737138998
S             9.5111880543       14.6471196746       -1.5780792451
W             6.3407752704       16.4771822414       -0.0002763808
S             7.9253259292       17.3934316817        1.5757329251
S             7.9260187668       17.3926374658       -1.5767854547
W            19.0226121072        0.0038122643       -0.0004680225
S            20.6075985184        0.9179966154        1.5770789567
S            20.6075973290        0.9195205447       -1.5766456166
W            17.4372263417        2.7492002149        0.0012557828
S            19.0224747895        3.6642159175        1.5780848358
S            19.0224122238        3.6647913076       -1.5751453045
W            15.8518231200        5.4946202660        0.0016853999
S            17.4370167612        6.4100382292        1.5782060124
S            17.4370439954        6.4097680023       -1.5749390438
W            14.2664382904        8.2401591158        0.0009145717
S            15.8513436873        9.1555996873        1.5775954684
S            15.8518127637        9.1552564033       -1.5755586716
W            12.6814352403       10.9858745305       -0.0004541566
S            14.2659908488       11.9012499909        1.5767786130
S            14.2672205114       11.9011526480       -1.5764444596
W            11.0968020776       13.7313041975       -0.0020549865
S            12.6805365041       14.6467846218        1.5764681817
S            12.6825499038       14.6471569417       -1.5774419060
W             9.5111906485       16.4771309642        0.0000311524
S            11.0970553779       17.3934384376        1.5757333592
S            11.0963644446       17.3926406015       -1.5767836830
O            10.1217316255       16.2363964354        4.7357747807
O             8.9022477008       16.2389872473        4.7357136889
K_POINTS { gamma }
