 &control
    calculation = 'vc-relax'
    restart_mode = 'from_scratch'
    prefix = 'mo_2h'
    pseudo_dir = './'
    outdir = './'
    wf_collect = .false.
    verbosity = 'high'
    forc_conv_thr = 1.0d-4
    etot_conv_thr = 1.0d-5
 /
 &system
    ibrav = 0
    nat = 6
    ntyp = 2
    ecutwfc = 70
    ecutrho = 520
    occupations = 'smearing'
    smearing = 'gaussian'
    degauss = 0.001
    vdw_corr = 'DFT-D'
    noncolin = .true.
    lspinorb = .true.
    starting_magnetization(1) = 0
    starting_magnetization(2) = 0
 /
 &electrons
    conv_thr = 1.0e-8
    mixing_beta = 0.3
 /
 &ions
    ion_dynamics = 'bfgs'
 /
 &cell
    cell_dynamics = 'bfgs'
 /
ATOMIC_SPECIES
  Mo    95.94      Mo.rel-pbe-spn-rrkjus_psl.0.2.UPF
  S     32.066     S.rel-pbe-n-rrkjus_psl.0.1.UPF
ATOMIC_POSITIONS crystal
Mo     0.499999970         0.833333373         0.083686590
Mo     0.000000000         0.333333254         0.083686590
S      0.499999970         0.166666627         0.000075609
S      0.000000000         0.666666687         0.000075609
S      0.499999970         0.166666627         0.167297572
S      0.000000000         0.666666687         0.167297572
K_POINTS automatic
18 18 1 0 0 0
CELL_PARAMETERS angstrom
        3.1830000877         0.0000000000         0.0000000000
        0.0000000000         5.5130000114         0.0000000000
        0.0000000000         0.0000000000        18.0136375427