 &control
    calculation = 'scf'
    restart_mode ='from_scratch',
    prefix       ='LiNiO2'
    pseudo_dir   = '../../pseudo/'
    outdir       = './'
    tprnfor      = .true.
    tstress      = .true.
 /
 &system
    ibrav = 5,
    celldm(1) = 9.47,
    celldm(4) = 0.835,
    nat = 4,
    ntyp = 3,
    ecutwfc = 25.0
    ecutrho = 200.0
    occupations = 'smearing'
    smearing = 'mv'
    degauss = 0.015
    nspin = 2
    starting_magnetization(1) = 0.5
    lda_plus_u = .true.,
    lda_plus_u_kind = 2,
    U_projection_type = 'atomic'
    Hubbard_V(1,1,1) = 3.0, 
    Hubbard_V(1,2,1) = 0.7 
 /
 &electrons
    mixing_beta = 0.7
    conv_thr =  1.0d-10
    diago_david_ndim = 4
 /
ATOMIC_SPECIES
Ni  58.7  Ni.pbesol-n-kjpaw_psl.0.1.UPF
O   16.0  O.pbesol-n-kjpaw_psl.0.1.UPF
Li   7.0  Li.pbesol-s-kjpaw_psl.0.2.1.UPF
ATOMIC_POSITIONS {crystal}
 Ni  0.0000000000   0.0000000000   0.0000000000
 O   0.2590000000   0.2590000000   0.2590000000
 O   0.7410000000   0.7410000000   0.7410000000
 Li  0.5000000000   0.5000000000   0.5000000000
K_POINTS {automatic}
 2 2 2 0 0 0
