!prepared and run by N. ZIBOUCHE
&control
    calculation='vc-relax'
    prefix=''
    outdir=''
    restart_mode='from_scratch'
    pseudo_dir = ""
   wf_collect=.true.
   etot_conv_thr= 1.0D-5
   forc_conv_thr= 1.0D-4
   tstress =.true.
   tprnfor =.true.


 /
 &system
    ibrav = 0
    nat = 12
    ntyp = 3
    ecutwfc = 60
    ecutrho = 360


/
&electrons
    diagonalization='david'
    mixing_beta=0.7

/
&ions

/
&cell
cell_dofree = 'xy'
/


K_POINTS {automatic}
9  9  1  0 0 0




ATOMIC_SPECIES
Se     78.96000   Se.pz-n-kjpaw_psl.0.2.UPF
Re    186.20700   Re.pz-spn-kjpaw_psl.1.0.0.UPF
S      32.06600   S.pz-n-kjpaw_psl.0.1.UPF 


CELL_PARAMETERS (angstrom)
   6.406665651   0.003068778   0.000000000
  -3.136695462   5.712906673   0.000000000
   0.000000000   0.000000000  23.499231000

ATOMIC_POSITIONS (crystal)
S        0.643238284   0.556814429   0.576119475
S        0.185693792   0.607603704   0.567539387
S        0.144088388   0.062757980   0.557015697
S        0.684587497   0.096620095   0.549424347
Re       0.934813155   0.684002322   0.505228528
Re       0.512178762   0.711166771   0.503207886
Re       0.488084733   0.288027074   0.501728293
Re       0.063862824   0.315241883   0.500200915
Se       0.316104755   0.903928536   0.446938117
Se       0.855280120   0.935426490   0.439692941
Se       0.816404683   0.395597590   0.430421735
Se       0.355587007   0.442800127   0.422479680






