!prepared and run by N. ZIBOUCHE
&control
    calculation='vc-relax'
    prefix='slab'
    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
S      32.06600   S.pz-n-kjpaw_psl.0.1.UPF 
Re    186.20700  Re.pz-spn-kjpaw_psl.1.0.0.UPF 
Se     78.96000  Se.pz-n-kjpaw_psl.0.2.UPF 


CELL_PARAMETERS (angstrom)
   6.404857420   0.001967400   0.000000000
  -3.138125103   5.711978702   0.000000000
   0.000000000   0.000000000  23.499231000

ATOMIC_POSITIONS (crystal)
Se       0.644400050   0.557206178   0.577527299
Se       0.183545891   0.604395003   0.569596853
Se       0.144655617   0.064547083   0.560326107
Se       0.683801772   0.096075672   0.553087591
Re       0.936166558   0.684795139   0.499788521
Re       0.511922875   0.711975961   0.498273553
Re       0.487805577   0.288834739   0.496787348
Re       0.065134870   0.315972972   0.494782753
S        0.315468852   0.903373383   0.450547510
S        0.855960316   0.937263764   0.442959288
S        0.814330522   0.392396696   0.432442219
S        0.356731097   0.443150410   0.423877960
