  &CONTROL
    calculation='cp',
    title="WATER",
    restart_mode='from_scratch',
    nstep=300, iprint=1000, isave=1000,
    tstress=.FALSE.,
    dt = 3.,
    ndr=90,
    ndw=91,
    pseudo_dir='../pseudo',
    outdir='./traj',
  /
  &SYSTEM
    ibrav = 1,
    celldm(1) = 10.,
    nat =3,
    ntyp =2,
    ecutwfc =80.0,
  /
  &ELECTRONS
    emass = 50.,
    emass_cutoff = 3.,
    orthogonalization = 'ortho',
    electron_dynamics= 'cg',
    startingwfc='random'
  /
  &IONS
    ion_dynamics    = 'verlet',
    ion_velocities= 'random',
    tempw=800,
  /
AUTOPILOT
    on_step = 100 : electron_dynamics = 'verlet'
    on_step = 110 : iprint = 3
ENDRULES
ATOMIC_SPECIES
   H      1.00000000 H_HSCV_PBE-1.0.upf
   O     16.00000000 O_HSCV_PBE-1.0.upf
ATOMIC_POSITIONS {bohr}
 H     0.57164238	  0.94335166	  0.96565043
 H    -0.24339682	 -0.43501513	 -1.37874473
 O    -0.32824556	 -0.50852550	  0.41309430

