 &control
    calculation='scf'
    restart_mode='from_scratch',
    prefix='NiO2'
    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,
    nat = 3, 
    ntyp = 2,
    ecutwfc = 45.0
    ecutrho = 360.0
    lda_plus_u = .true.,
    lda_plus_u_kind = 0,
    U_projection_type = 'ortho-atomic',
    Hubbard_U(1) = 1.d-8
 /
 &electrons
    conv_thr =  1.d-15
    mixing_beta = 0.3
 /
ATOMIC_SPECIES
Ni   58.6934  Ni.pbe-n-rrkjus_psl.0.1.UPF
O    15.9994  O.pbe-n-rrkjus_psl.0.1.UPF
ATOMIC_POSITIONS {angstrom}
Ni   0.0000000000    0.0000000000    10.9412265283
O    1.4121016725    0.8152772808    10.0006291225
O    0.0000000000    1.6305545616    11.8818239340
CELL_PARAMETERS {angstrom}
  2.8242033451    0.0000000000     0.0000000000
 -1.4121016725    2.4458318423     0.0000000000
  0.0000000000    0.0000000000    21.8824530565
K_POINTS {automatic}
 4 4 1 0 0 0
