&CONTROL
  calculation = 'scf'
  nstep = 100,
  etot_conv_thr = 1.d-5,
  forc_conv_thr = 1.d-4,
  restart_mode='restart',
  prefix='Vs_neg_7x7',
  pseudo_dir = '/m100/home/userexternal/mbianchi/pseudoterminatore/',
  outdir='./tmp/'
  wf_collect=.true.
  max_seconds = 28000
/
&SYSTEM
  ibrav=  4, 
  celldm(1) = 41.9383306,
  celldm(3) =0.857 ,
  nat=  146, 
  ntyp= 2,
  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(2)=0.1
  input_dft= 'vdw-df2-b86r'
  tot_charge=-1
/
&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
ATOMIC_POSITIONS  { angstrom }
W             0.0197692744        0.0339577699       -0.0167778131
S             1.6438303085        1.0418997567        1.5007168760
S             1.5788570505        0.9491370639       -1.6306129103
W            -1.5628452535        2.7605853935       -0.0168757798
S             0.0884038289        3.6925792072        1.5261751391
S            -0.0079165853        3.6551113183       -1.6469478135
W            -3.1660274802        5.4965308305       -0.0102755746
S            -1.5597628549        6.3949379240        1.5476750546
S            -1.6043977748        6.4221525915       -1.6073674238
W            -4.7568924593        8.2418096773        0.0065750039
S            -3.1633730270        9.1465633051        1.5794728533
S            -3.1766326919        9.1635657753       -1.5713347482
W            -6.3430847161       10.9893946190        0.0158082528
S            -4.7568854945       11.9051724977        1.5907707855
S            -4.7575950010       11.9047338309       -1.5601203093
W            -7.9267076000       13.7399462677        0.0126223139
S            -6.3438868084       14.6700709556        1.5814659863
S            -6.3417108567       14.6461837946       -1.5692711142
W            -9.5060611377       16.4950990135       -0.0013580143
S            -7.9199822067       17.4522017230        1.5459666931
S            -7.9283416339       17.3948475435       -1.5961011443
W             3.1834140657        0.0470585745       -0.0641981048
S             4.7257479129        1.0163265776        1.4943609331
S             4.7741720450        0.9020647261       -1.6689161596
W             1.6359784591        2.8535317079       -0.1111398772
S             3.1808123218        3.6566008077       -1.7522402422
W             0.0051273605        5.4903466816       -0.0643548925
S             1.6067791978        6.3149216322        1.5266288316
S             1.5958513575        6.4162660800       -1.6403750216
W            -1.5839330277        8.2358940875       -0.0089044847
S             0.0089908611        9.1223215664        1.5750096523
S             0.0040207021        9.1574090385       -1.5763853656
W            -3.1718310697       10.9859692457        0.0141406505
S            -1.5850561550       11.8920080302        1.5938779465
S            -1.5820987392       11.9014250214       -1.5558973250
W            -4.7583911791       13.7369847907        0.0140218012
S            -3.1768579771       14.6562035698        1.5909941787
S            -3.1666771466       14.6447720433       -1.5590104705
W            -6.3423381119       16.4914251064       -0.0099456358
S            -4.7708253809       17.4261884542        1.5643679894
S            -4.7481012323       17.3855126401       -1.5885102784
W             6.3339920797        0.0172707032       -0.0392290281
S             7.9022287316        0.9334843903        1.5512298024
S             7.9413496726        0.9109129415       -1.5987884272
W             4.7387018037        2.7685097151       -0.1644375692
S             6.2465220580        3.6475476510        1.4989374007
S             6.3692418644        3.6591405148       -1.6707491248
W             3.1137905994        5.3866995141       -0.1016549343
S             4.6842842107        6.2949291434        1.5058194874
S             4.7242012158        6.3982942734       -1.6260887392
W             1.5883939446        8.2130418299       -0.0136337361
S             3.1670783409        9.1125966730        1.5764001218
S             3.1700877986        9.1534912879       -1.5719377246
W             0.0011297984       10.9739796929        0.0169393820
S             1.5837968689       11.8825586947        1.5998686715
S             1.5884443629       11.8985564336       -1.5503131464
W            -1.5859437634       13.7299059941        0.0230525021
S            -0.0039525668       14.6445659406        1.6031070214
S             0.0053388837       14.6429895942       -1.5471340723
W            -3.1746862321       16.4832056165        0.0080185776
S            -1.5960020168       17.4023007415        1.5880066810
S            -1.5771885424       17.3861760792       -1.5628080224
W             9.5090489079        0.0057183532        0.0014641966
S            11.0838249828        0.9243681067        1.5876400212
S            11.1064207849        0.9156993831       -1.5634330851
W             7.9126395929        2.7505153555       -0.0384417911
S             9.4772121193        3.6623702973        1.5641582639
S             9.5228510274        3.6625360005       -1.5887702597
W             6.3145733795        5.4633793824       -0.0637715585
S             7.8814647086        6.3769589266        1.5464760293
S             7.9258451150        6.4136774565       -1.5969366653
W             4.7402534972        8.2065025301       -0.0128965971
S             6.3204003287        9.1120593009        1.5811235783
S             6.3301327961        9.1496741194       -1.5698245655
W             3.1688444627       10.9699462431        0.0213032943
S             4.7529316065       11.8810035623        1.6032902537
S             4.7551695993       11.8977361547       -1.5455548987
W             1.5860765464       13.7248015477        0.0319854761
S             3.1704075935       14.6407085240        1.6107141687
S             3.1744359829       14.6431950055       -1.5389004115
W            -0.0000915618       16.4763268290        0.0254544546
S             1.5817061522       17.3953055395        1.6047090918
S             1.5918708221       17.3885679005       -1.5453508363
W            12.6828302256        0.0046407943        0.0246901480
S            14.2675392640        0.9241583686        1.6016018614
S            14.2724410387        0.9163966605       -1.5487501353
W            11.0906890331        2.7509255065        0.0073331899
S            12.6718592221        3.6665095764        1.5897895058
S            12.6858675594        3.6633213705       -1.5604867610
W             9.5005213202        5.4905939743       -0.0106368746
S            11.0770285490        6.4022829020        1.5805531913
S            11.0980983454        6.4129634441       -1.5703471180
W             7.9150132246        8.2284512475       -0.0006817490
S             9.4968163022        9.1395150298        1.5873756197
S             9.5076179714        9.1595025620       -1.5624377152
W             6.3358309554       10.9684970042        0.0242168775
S             7.9216753946       11.8889390141        1.6020520080
S             7.9205172180       11.9003280576       -1.5458165724
W             4.7576862730       13.7248967042        0.0362773650
S             6.3454425838       14.6450163637        1.6109891131
S             6.3418131730       14.6458024696       -1.5387198348
W             3.1735580913       16.4756038424        0.0357237991
S             4.7613288155       17.3965958592        1.6096585637
S             4.7600977814       17.3903935987       -1.5400459566
W            15.8581217377        0.0064634637        0.0300699778
S            17.4523183600        0.9297154266        1.5975581193
S            17.4398138417        0.9176077860       -1.5530760145
W            14.2683014676        2.7514631942        0.0212878322
S            15.8600565839        3.6695991246        1.5921219131
S            15.8527711355        3.6628106732       -1.5581301470
W            12.6769865661        5.4957626855        0.0126418624
S            14.2639229213        6.4100383973        1.5895562784
S            14.2636935876        6.4118685476       -1.5615054510
W            11.0903686989        8.2384257827        0.0121338319
S            12.6754792203        9.1533819993        1.5915234164
S            12.6778445306        9.1598457685       -1.5589003030
W             9.5080259011       10.9824310582        0.0233033850
S            11.0952059201       11.9032849424        1.5980382640
S            11.0912245463       11.9052340841       -1.5520501482
W             7.9282705879       13.7308067161        0.0330909361
S             9.5201389637       14.6584554082        1.6014430161
S             9.5093530234       14.6520939316       -1.5466036442
W             6.3474935328       16.4791525502        0.0351045715
S             7.9419532316       17.4061345490        1.6013232524
S             7.9279804266       17.3941542579       -1.5477262075
W            19.0343055251        0.0131433876        0.0182890135
S            20.6414471623        0.9431355616        1.5728594473
S            20.6073972247        0.9198990801       -1.5757366495
W            17.4469900160        2.7546259748        0.0145754504
S            19.0540631434        3.6732418628        1.5728580856
S            19.0202784527        3.6612564940       -1.5789334470
W            15.8518304347        5.4970155726        0.0124987903
S            17.4488118657        6.4085713121        1.5784261490
S            17.4277722586        6.4132136363       -1.5725354574
W            14.2637438648        8.2421463344        0.0152081614
S            15.8533789586        9.1554553854        1.5886110351
S            15.8460273958        9.1603815120       -1.5626945785
W            12.6786627918       10.9888733754        0.0198048206
S            14.2662260855       11.9094724786        1.5918753655
S            14.2624003816       11.9043712192       -1.5585215340
W            11.0986745740       13.7379567234        0.0229908501
S            12.6887087538       14.6700168814        1.5872217255
S            12.6775360633       14.6498383163       -1.5626001613
W             9.5235516117       16.4910505942        0.0225018945
S            11.1231088155       17.4337673656        1.5791731585
S            11.0960200154       17.4041780870       -1.5720262849
K_POINTS { gamma }
