&CONTROL
title="water"
calculation='md',
restart_mode = 'from_scratch',
tprnfor=.t.,
prefix='ms2',
pseudo_dir='pseudo'
nstep = 2000000000,
/
 &SYSTEM
                       ibrav = 0,
                   celldm(1) = 20.0,
                         nat = 3,
                        ntyp = 2,
                     ecutwfc = 30.0 ,
                        nosym=.true.,
                     assume_isolated='martyna-tuckerman'
 /
 &ELECTRONS
  conv_thr  = 1.D-5,
  mixing_beta = 0.4D0,
 /
 &IONS
                      ion_dynamics = 'verlet'
                      ion_positions = 'default'
                      ion_temperature = 'rescaling'
                      tempw = 300.0
/

CELL_PARAMETERS cubic
1.000    0.0     0.0
0.0     1.000     0.0
0.0    0.0     1.000
ATOMIC_SPECIES
H 1.0080  H.pbe-van_ak.UPF
O 15.9990 O.pbe-van_bm.UPF
ATOMIC_POSITIONS angstrom
O 6.4521461999999996 6.9329277999999999 6.9476883999999997
H 5.6761461999999998 6.4529278000000003 7.2376883999999997
H 7.1031462000000003 6.2539277999999996 6.7736884000000002