 &control
    calculation='scf',
    pseudo_dir = '/Users/calandra/Pw/SVN_9_7_2015/espresso/XSpectra/examples/pseudo/',
    outdir='/Users/calandra/Pw/SVN_9_7_2015/espresso/XSpectra/examples/results/tmp/',
    prefix='NiO',
 /
 &system
    ibrav = 5 ,
    celldm(1) =9.67155,
    celldm(4)=0.8333333333,
    nat = 4 ,
    ntyp = 3 ,
    nspin=2,
    ecutwfc = 70.0,
    starting_magnetization(1)=1.0,
    starting_magnetization(2)=-1.0,
    tot_magnetization = 0.0
    nbnd=24,
    lda_plus_u=.true.,
    Hubbard_U(1)=7.6,
    Hubbard_U(2)=7.6,
 /
 &electrons
    mixing_beta = 0.3,
 /
ATOMIC_SPECIES
Ni 58.6934   Ni_PBE_TM_2pj.UPF
NiB  58.6934   Ni_PBE_TM_2pj.UPF
O  15.9994   O_PBE_TM.UPF
ATOMIC_POSITIONS crystal
Ni  0.0000000000  0.0000000000  0.0000000000
NiB  -.5000000000  1.5000000000  -.5000000000
O  0.7500000000  -.2500000000  -.2500000000
O  -.7500000000  0.2500000000  0.2500000000
K_POINTS automatic
1 1 1 0 0 0
