h2o-mt-blyp-1.in

 &control
    title = ' Water Molecule ',
    calculation = 'cp',
    restart_mode = 'from_scratch',
    ndr = 51,
    ndw = 51,
    nstep  = 100,
    iprint = 100,
    isave  = 100,
    tstress = .TRUE.,
    tprnfor = .TRUE.,
    dt    = 5.0d0,
    etot_conv_thr = 1.d-9,
    ekin_conv_thr = 1.d-4,
    prefix = 'h2o'
    verbosity = 'medium'
 /
 &system
    ibrav = 14,
    celldm(1) = 12.0,
    celldm(2) = 1.0,
    celldm(3) = 1.0,
    celldm(4) = 0.0,
    celldm(5) = 0.0,
    celldm(6) = 0.0,
    nat  = 3,
    ntyp = 2,
    nbnd = 4,
    ecutwfc = 80.0,
 /
 &electrons
    emass = 400.d0,
    emass_cutoff = 2.5d0,
    orthogonalization = 'ortho',
    electron_dynamics = 'damp',
    electron_damping = 0.2
 /
 &ions
    ion_dynamics = 'none',
    ion_radius(1) = 0.8d0,
    ion_radius(2) = 0.8d0,
 /
ATOMIC_SPECIES
 O 16.0d0 O.blyp-mt.UPF
 H 1.00d0 H.blyp-vbc.UPF
ATOMIC_POSITIONS (bohr)
   O     0.0099    0.0099    0.0000  0 0 0
   H     1.8325   -0.2243   -0.0001  1 1 1
   H    -0.2243    1.8325    0.0002  1 1 1