&CONTROL
  calculation = 'relax'
  nstep = 80,
  etot_conv_thr = 1.d-5,
  forc_conv_thr = 1.d-4,
  restart_mode='restart',
  prefix='N2_Vs_neg_6x6',
  pseudo_dir = '/m100/home/userexternal/mbianchi/pseudoterminatore/',
  outdir='./tmp/'
  wf_collect=.true.
  max_seconds = 28000
/
&SYSTEM
  ibrav=  4, 
  celldm(1) = 35.947140 ,
  celldm(3) =1 ,
  nat=  109, 
  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(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 
 N 14.0067 N.ONCV.FR.v4.upf
ATOMIC_POSITIONS  { angstrom }
W             0.0151910691        0.0179111326       -0.0070058611
S             1.6359738530        1.0035276406        1.5286249511
S             1.5731550598        0.9206379003       -1.6293238866
W            -1.5620929696        2.7498472854       -0.0070058611
S             0.1018670507        3.6606786263        1.5286249511
S            -0.0013269667        3.6477208256       -1.6293238866
W            -3.1619686066        5.4895959653        0.0042278214
S            -1.5474505017        6.3847153170        1.5591528648
S            -1.5885012009        6.4084159492       -1.5847818511
W            -4.7532557009        8.2355875183        0.0143920619
S            -3.1622700258        9.1445235274        1.5884512398
S            -3.1704404393        9.1546763293       -1.5621958088
W            -6.3408000000       10.9852949634        0.0143920619
S            -4.7581449281       11.9086600005        1.5884512398
S            -4.7534375504       11.8965078139       -1.5621958088
W            -7.9232548444       13.7363858182        0.0042278214
S            -6.3408000000       14.6870393660        1.5591528648
S            -6.3408000000       14.6396381016       -1.5847818511
W             3.1704000000        0.0323815884       -0.0455873985
S             4.7048261470        1.0035276406        1.5286249511
S             4.7676449402        0.9206379003       -1.6293238866
W             1.6438891232        2.7795311811       -0.1038353636
S             3.1704000000        3.6608630000       -1.7241569245
W             0.0280432781        5.4751032058       -0.0455873985
S             1.6362931977        6.3183827332        1.5286249511
S             1.5959179735        6.4142302741       -1.6293238866
W            -1.5795137621        8.2304882164        0.0042278214
S             0.0127172737        9.1232255557        1.5843736799
S             0.0042537654        9.1539542963       -1.5666786881
W            -3.1706995272       10.9824150679        0.0184012004
S            -1.5877785807       11.8963142557        1.5974104230
S            -1.5820120880       11.8996435418       -1.5511682450
W            -4.7583451556       13.7363858182        0.0042278214
S            -3.1890958629       14.6689287042        1.5843736799
S            -3.1667157470       14.6462347207       -1.5666786881
W             6.3256089309        0.0179111326       -0.0070058611
S             7.8988883523        0.9308689171        1.5802834551
S             7.9297840988        0.9130312495       -1.5679346662
W             4.6969108768        2.7795311811       -0.1038353636
S             6.2389329493        3.6606786263        1.5286249511
S             6.3421269667        3.6477208256       -1.6293238866
W             3.1704000000        5.4235256378       -0.1038353636
S             4.7045068023        6.3183827332        1.5286249511
S             4.7448820265        6.4142302741       -1.6293238866
W             1.5931159613        8.2148295820       -0.0070058611
S             3.1704000000        9.1208501658        1.5802834551
S             3.1704000000        9.1565255009       -1.5679346662
W             0.0010894932       10.9746486029        0.0235500015
S             1.5845435687       11.8868044051        1.6033666463
S             1.5856567643       11.8992402051       -1.5463988244
W            -1.5915309730       13.7331482273        0.0235500015
S            -0.0098532782       14.6483808113        1.6033666463
S             0.0014730383       14.6431269670       -1.5463988244
W             9.5040209278        0.0041448393        0.0234663753
S            11.0872031531        0.9212837836        1.6033666463
S            11.0974162739        0.9141018280       -1.5463988244
W             7.9028929696        2.7498472854       -0.0070058611
S             9.4797868634        3.6643147401        1.5843736799
S             9.5106304876        3.6562799830       -1.5666786881
W             6.3127567219        5.4751032058       -0.0455873985
S             7.8882505017        6.3847153170        1.5591528648
S             7.9293012009        6.4084159492       -1.5847818511
W             4.7476840387        8.2148295820       -0.0070058611
S             6.3280827263        9.1232255557        1.5843736799
S             6.3365462346        9.1539542963       -1.5666786881
W             3.1704000000       10.9742983215        0.0234663753
S             4.7562564313       11.8868044051        1.6033666463
S             4.7551432357       11.8992402051       -1.5463988244
W             1.5831066705       13.7270264157        0.0337041066
S             3.1704000000       14.6434500000        1.6098922216
S             3.1704000000       14.6434500000       -1.5395002717
W            12.6816000000        0.0024171687        0.0337041066
S            14.2759968469        0.9212837836        1.6033666463
S            14.2657837261        0.9141018280       -1.5463988244
W            11.0889795338        2.7486731698        0.0235500015
S            12.6816000000        3.6638404886        1.5974104230
S            12.6816000000        3.6571819164       -1.5511682450
W             9.5027686066        5.4895959653        0.0042278214
S            11.0857250978        6.4032854722        1.5884512398
S            11.0986028888        6.4052848568       -1.5621958088
W             7.9203137621        8.2304882164        0.0042278214
S             9.5030700258        9.1445235274        1.5884512398
S             9.5112404393        9.1546763293       -1.5621958088
W             6.3397105068       10.9746486029        0.0235500015
S             7.9285785807       11.8963142557        1.5974104230
S             7.9228120880       11.8996435418       -1.5511682450
W             4.7576933295       13.7270264157        0.0337041066
S             6.3506532782       14.6483808113        1.6033666463
S             6.3393269617       14.6431269670       -1.5463988244
W            15.8591790722        0.0041448393        0.0234663753
S            17.4643116477        0.9308689171        1.5802834551
S            17.4334159012        0.9130312495       -1.5679346662
W            14.2742204662        2.7486731698        0.0235500015
S            15.8834131366        3.6643147401        1.5843736799
S            15.8525695124        3.6562799830       -1.5666786881
W            12.6816000000        5.4916398642        0.0184012004
S            14.2774749022        6.4032854722        1.5884512398
S            14.2645971112        6.4052848568       -1.5621958088
W            11.0940557009        8.2355875183        0.0143920619
S            12.6816000000        9.1521560000        1.5897242788
S            12.6816000000        9.1521560000       -1.5597658174
W             9.5114995272       10.9824150679        0.0184012004
S            11.0989449281       11.9086600005        1.5884512398
S            11.0942375504       11.8965078139       -1.5621958088
W             7.9323309730       13.7331482273        0.0235500015
S             9.5298958629       14.6689287042        1.5843736799
S             9.5075157470       14.6462347207       -1.5666786881
N             3.1704000000        4.2608630000        3.6937896216
N             3.1704000000        3.0608630000        4.2260513341
K_POINTS { gamma }
