&control calculation='scf', prefix='NiO_U', pseudo_dir = './', outdir='./' / &system ibrav=0, celldm(1)=7.9, nat=4, ntyp= 3, ecutwfc = 30.0, ecutrho = 240.0, nspin=2, starting_magnetization(2)= 0.5, starting_magnetization(3)=-0.5, tot_magnetization = 0.0, lda_plus_u = .true., Hubbard_U(2) = 8.0, Hubbard_U(3) = 8.0, / &electrons / CELL_PARAMETERS 0.50 0.50 1.00 0.50 1.00 0.50 1.00 0.50 0.50 ATOMIC_SPECIES O 16.00 O.pbe-rrkjus.UPF Ni1 58.69 Ni.pbe-nd-rrkjus.UPF Ni2 58.69 Ni.pbe-nd-rrkjus.UPF ATOMIC_POSITIONS crystal O 0.25 0.25 0.25 O 0.75 0.75 0.75 Ni1 0.0 0.0 0.0 Ni2 0.5 0.5 0.5 K_POINTS automatic 4 4 4 1 1 1