&control
   calculation = 'scf'
   restart_mode='from_scratch',
   prefix='water_vdw',
   tstress = .true.
   tprnfor = .true.
   pseudo_dir = '/u/cm/degironc/QE/espresso/pseudo/',
   outdir='/u/cm/degironc/tmp/'
   verbosity = 'high'
/

&system
    ibrav           = 8
    celldm(1)       = 15 
    celldm(2)       = 0.954545454545455
    celldm(3)       = 1.22727272727273
    nat             = 6
    ntyp            = 2
    occupations     = 'fixed'
    ecutwfc         = 30.0
    ecutrho         = 180.0
    input_dft       = 'vdW-DF'
/

&electrons
    conv_thr        = 1.0d-8
/


ATOMIC_SPECIES
   O   15.9994    O.pbe-rrkjus.UPF
   H   1.00794    H.pbe-rrkjus.UPF
 
ATOMIC_POSITIONS {angstrom}
O     -0.000000     0.013129    -0.057535
H     -0.000000     0.779069    -0.656064
H      0.000000     0.389646     0.845802
O      0.000000     0.887109     2.818248
H     -0.774530     0.521469     3.280767
H      0.774530     0.521469     3.280767

K_POINTS gamma

