 &control
    calculation='scf'
    restart_mode='from_scratch',
    prefix='NiO'
    pseudo_dir = '/scratch/timrov/WORK_Hubbard/Z_git/work2_QE_fork/q-e/pseudo/'
    outdir='/scratch/timrov/WORK_Hubbard/Z_git/work2_QE_fork/q-e/tempdir/'
    verbosity='high'
 /
 &system
    ibrav = 0, 
    celldm(1) = 7.88, 
    nat = 4, 
    ntyp = 3,
    ecutwfc = 50.0,
    ecutrho = 400.0,
    occupations = 'smearing',
    smearing = 'gauss',
    degauss = 0.001,
    nspin = 2,
    starting_magnetization(1) =  0.5,
    starting_magnetization(2) = -0.5,
    lda_plus_u = .true.,
    lda_plus_u_kind = 0,
    U_projection_type = 'ortho-atomic',
    Hubbard_U(1) = 1.d-8
    Hubbard_U(2) = 1.d-8
 /
 &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
