 &control
    calculation  = 'scf'
    restart_mode = 'from_scratch',
    prefix       = 'NiO'
    tprnfor      = .true.
    tstress      = .true.
 /
 &system
    ibrav        = 0,
    celldm(1)    = 7.88,
    nat          = 4,
    ntyp         = 3,
    ecutwfc      = 25.0,
    ecutrho      = 200.0,
    nbnd         = 20
    occupations  = 'fixed'
    nspin        = 2,
    tot_magnetization = 0.00
 /
 &electrons
    conv_thr    = 1.d-15
    mixing_beta = 0.7
    startingpot = 'file'
    startingwfc = 'file'
    diago_david_ndim=4
 /
ATOMIC_SPECIES
 Ni1  58.693  Ni.pbesol-n-rrkjus_psl.0.1.UPF
 Ni2  58.693  Ni.pbesol-n-rrkjus_psl.0.1.UPF
 O    16.000  O.pbesol-n-rrkjus_psl.0.1.UPF
ATOMIC_POSITIONS {alat}
 Ni1  0.0000000   0.0000000   0.0000000
 Ni2  0.5000000   0.5000000   0.0000000
 O    0.5000000   0.0000000   0.0000000
 O    1.0000000   0.5000000   0.0000000
HUBBARD {atomic}
 U Ni1-3d 3.0
 U Ni2-3d 3.0
CELL_PARAMETERS
 1.00000000  0.50000000  0.50000000
 0.50000000  1.00000000  0.50000000
 0.50000000  0.50000000  1.00000000
K_POINTS {automatic}
 2 2 2 0 0 0
