 &control
    calculation='scf',
    restart_mode='from_scratch',
    prefix='water',
    pseudo_dir = '/home/degironc/QE/espresso/pseudo',
    outdir='/home/degironc/tmp'
    
   tefield=.true., 
    dipfield=.true.
/
&SYSTEM
    ibrav=1, celldm(1) = 15 
    nat=3, ntyp=2

    ecutwfc=30.0
    occupations='smearing', degauss=0.01
    
    edir=3
    eamp=0.D0
    eopreg=0.1
    emaxpos=0.6
/
&ELECTRONS
    mixing_beta = 0.7
    conv_thr =  1.0d-8
/
ATOMIC_SPECIES
    O    15.9994    O.pbe-rrkjus.UPF
    H    1.00794    HUSPBE.RRKJ3
ATOMIC_POSITIONS { Angstrom }
O    0.0  0.0  0.0
H    0.77 0.0  0.62
H   -0.77 0.0  0.62
K_POINTS { gamma }
