 &control
    calculation = 'scf'
 /
 &system
    ibrav=  0, celldm(1)=8.19, nat=  4, ntyp= 3,
    ecutwfc = 30.0, ecutrho = 240.0, nbnd=20,
    starting_magnetization(1)= 0.0,
    starting_magnetization(2)= 0.5,
    starting_magnetization(3)=-0.5,
    occupations='smearing', smearing='gauss', degauss=0.01,
    nspin=2,
    lda_plus_u=.true.  Hubbard_U(2)=4.3, Hubbard_U(3)=4.3,
 /
 &electrons
    mixing_mode = 'plain'
    mixing_beta = 0.3
    conv_thr =  1.0d-6
    mixing_fixed_ns = 0
 /
CELL_PARAMETERS {alat}
0.50 0.50 1.00
0.50 1.00 0.50
1.00 0.50 0.50
ATOMIC_SPECIES
 O1   1.  O.pz-rrkjus.UPF
 Fe1  1.  Fe.pz-nd-rrkjus.UPF
 Fe2  1.  Fe.pz-nd-rrkjus.UPF
ATOMIC_POSITIONS {crystal}
 O1  0.25 0.25 0.25
 O1  0.75 0.75 0.75
 Fe1 0.0  0.0  0.0
 Fe2 0.5  0.5  0.5
K_POINTS {automatic}
2 2 2 0 0 0
