 &control
    calculation = 'relax'
 /
 &system
    ibrav=  2, celldm(1) =25.0,
    nat=  3, ntyp= 2,
    ecutwfc=25
    occupations = 'smearing'
    smearing='gauss'
       degauss = 0.005
    starting_magnetization(1) = +0.1
    starting_magnetization(2) = -0.1
    nspin = 2
 /
 &electrons
    conv_thr =  1.0d-6
    diago_david_ndim = 4
 /
 &ions
    ion_dynamics = 'bfgs'
 /
ATOMIC_SPECIES
 O   16.00  O.pbe-kjpaw.UPF
 H    1.00  H.pbe-kjpaw.UPF
ATOMIC_POSITIONS {bohr}
H        1.116339788  -1.457719099   0.000000000
H        1.116339788   1.457719099   0.000000000
O       -0.012679577   0.000000000   0.000000000
K_POINTS {gamma}
