 &control
    calculation  = 'scf'
    restart_mode = 'from_scratch',
    prefix       = 'NiO'
    pseudo_dir   = '../../pseudo/'
    outdir       = './'
    tprnfor      = .true.
    tstress      = .true.
 /
 &system
    ibrav        = 0, 
    celldm(1)    = 7.88, 
    nat          = 4, 
    ntyp         = 3,
    ecutwfc      = 25.0,
    ecutrho      = 200.0,
    occupations  = 'smearing',
    smearing     = 'gauss',
    degauss      = 0.001,
    nspin        = 2,
    starting_magnetization(1) =  0.5,
    starting_magnetization(2) = -0.5,
 /
 &electrons
    conv_thr    = 1.d-10
    mixing_beta = 0.7
 /
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
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
HUBBARD {atomic}
U Ni1-3d 3.0
U Ni2-3d 3.0
