 &control
    calculation = 'relax',
    tstress=.true.
 /
 &system
    ibrav = 1,
    celldm(1) = 12.0,
    nat  = 3,
    ntyp = 2,
    nbnd = 4,
    ecutwfc = 80,
    ecutfock=160,
    input_dft = 'B3LYP'
    exxdiv_treatment = 'gygi-baldereschi'
    x_gamma_extrapolation = .TRUE.
 /
 &electrons
 /
 &ions
 /
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
   H     1.8325   -0.2243   -0.0001
   H    -0.2243    1.8325    0.0002
K_POINTS gamma
