&CONTROL
    calculation   = "vc-relax"
    forc_conv_thr =  1.00000e-06
    outdir        = "/home/dell/QuantumEspresso/Work/output" 
    pseudo_dir    = "/home/dell/QuantumEspresso/Work/Poten"
    prefix        ='WS2'
    tprnfor       =.true.,
    tstress       =.true.
/

&SYSTEM
    a                         =  3.19073e+00
    c                         =  2.14048e+01
    degauss                   =  1.00000e-02
    ecutrho                   =  5.00000e+02
    ecutwfc                   =  5.00000e+01
    ibrav                     = 4
    input_dft                 ='pbe'
    nat                       = 3
    ntyp                      = 2
    occupations               = "smearing"
    smearing                  = "gaussian"
/

&ELECTRONS
    electron_maxstep =  200
    conv_thr         =  1.00000e-08
    mixing_beta      =  3.00000e-02
    startingpot      = "atomic"
    startingwfc      = "atomic+random"
    mixing_mode      =  local-TF
    mixing_ndim      =  12
/

&IONS
     ion_dynamics  = "bfgs"
/

&CELL
    cell_dofree    = "2Dxy"
    cell_dynamics  = "bfgs"
    press_conv_thr =  5.00000e-01
/
K_POINTS {automatic}
25 25  1  0 0 0

ATOMIC_SPECIES
W     183.84  W.pbe-spn-rrkjus_psl.1.0.0.UPF
S     32.065  S.pbe-nl-rrkjus_psl.1.0.0.UPF

ATOMIC_POSITIONS {angstrom}
W   -0.000002    1.842170   10.651802
S    1.595367    0.921084   12.224846
S    1.595367    0.921084    9.078757
