&CONTROL
  calculation = 'scf'
  nstep = 90,
  etot_conv_thr = 1.d-5,
  forc_conv_thr = 1.d-4,
  restart_mode='from_scratch',
  prefix='N2_Vs_neg_5x5',
  pseudo_dir = '/m100/home/userexternal/mbianchi/pseudoterminatore/',
  outdir='./tmp/'
  wf_collect=.true.
  max_seconds = 14000
/
&SYSTEM
  ibrav=  4, 
  celldm(1) = 29.95595 ,
  celldm(3) =1.2 ,
  nat=  74, 
  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             0.0170323036        0.0208979869        0.0091339081
S             1.6513779526        0.9805991633        1.5536849088
S             1.5735885880        0.9277041890       -1.6131638668
W            -1.5573096030        2.7569059172        0.0103412222
S             0.1268826009        3.6620680904        1.5323042490
S             0.0243677896        3.6476567396       -1.5955435366
W            -3.1628781788        5.4953779328        0.0135612528
S            -1.5461932054        6.3950999634        1.5657249938
S            -1.5854913462        6.4085622037       -1.5749169881
W            -4.7559023133        8.2404159282        0.0104174542
S            -3.1659393637        9.1567972612        1.5813497104
S            -3.1689961950        9.1529640358       -1.5665230860
W            -6.3395325646       10.9896325593        0.0047590473
S            -4.7553967471       11.9240458205        1.5652271595
S            -4.7559143241       11.8864610163       -1.5874021394
W             3.1710947728        0.0124882888       -0.0375375371
S             4.6911744626        0.9791465833        1.5534103965
S             4.7680207880        0.9251436392       -1.6153675384
W             1.7039078616        2.7517716656       -0.0720721095
S             3.1711531125        3.6827582104       -1.7152800946
W             0.0386052723        5.4928681621       -0.0344928882
S             1.6454605327        6.3466295588        1.5274599407
S             1.5763343442        6.4412544098       -1.6389289859
W            -1.5790584644        8.2386959797        0.0050754517
S             0.0094029706        9.1420210137        1.5828421031
S            -0.0018648672        9.1708592772       -1.5673080148
W            -3.1717626042       10.9896001354        0.0042000013
S            -1.6005851684       11.9166175703        1.5877894098
S            -1.5812935109       11.9102513089       -1.5616443855
W             6.3245172479        0.0199741303        0.0079071575
S             7.8997305818        0.9365265894        1.5941959983
S             7.9262670791        0.9259831006       -1.5521181932
W             4.6392815542        2.7474794441       -0.0747844160
S             6.2139405113        3.6597294529        1.5311003863
S             6.3176517414        3.6477035058       -1.5967484975
W             3.1677493956        5.4797069830       -0.1312102202
S             4.6928350059        6.3455856243        1.5264651399
S             4.7632976502        6.4403043528       -1.6379368996
W             1.5893300689        8.2364404625       -0.0106400928
S             3.1702050029        9.1405843816        1.5764378989
S             3.1705149799        9.1775859031       -1.5697199180
W            -0.0039156359       10.9916979240        0.0209995970
S             1.5802878093       11.9040243316        1.6020172496
S             1.5841803095       11.9154902241       -1.5462516777
W             9.5048228546        0.0138502011        0.0324189578
S            11.0964948155        0.9293748267        1.6084667385
S            11.0970400460        0.9270658102       -1.5374699184
W             7.8987360202        2.7563093422        0.0093156134
S             9.4845739280        3.6723151925        1.5959662019
S             9.5063288782        3.6606187113       -1.5524933742
W             6.3011720308        5.4914809091       -0.0342623324
S             7.8859384540        6.3942806421        1.5658131314
S             7.9250786872        6.4082378843       -1.5742980023
W             4.7508715376        8.2361911403       -0.0104747527
S             6.3308421152        9.1416594246        1.5833846709
S             6.3423470913        9.1708967090       -1.5666685914
W             3.1705362057       10.9934477984        0.0230969557
S             4.7605927514       11.9040948203        1.6024982858
S             4.7574259774       11.9157713228       -1.5456304642
W            12.6887532286        0.0141469247        0.0330630746
S            14.2936774864        0.9371254095        1.5952712005
S            14.2676529960        0.9264998472       -1.5510364003
W            11.0966231741        2.7592967508        0.0323331504
S            12.7081286384        3.6727925032        1.5962865369
S            12.6872222943        3.6606345913       -1.5521375619
W             9.5031266880        5.4950965188        0.0135690418
S            11.0960410325        6.4108790979        1.5880644295
S            11.0959776077        6.4058765208       -1.5595462009
W             7.9192722448        8.2384592870        0.0056360584
S             9.5064139259        9.1565854202        1.5817865646
S             9.5089246872        9.1529974775       -1.5661011486
W             6.3449701587       10.9918180013        0.0218213698
S             7.9417987311       11.9169691817        1.5886560314
S             7.9223051374       11.9111874362       -1.5606240705
K_POINTS { gamma }
