&CONTROL
title = "Fe2, multiplicity=7, U=3.0"
calculation = "scf",
restart_mode = "from_scratch",
prefix = "Fe2.c0.s7.u3.0.a0.2",
outdir = "./",
pseudo_dir = "~/pseudos/",
wf_collect=.TRUE.
 nstep=500
/
&SYSTEM
celldm(1)=24,ecutwfc=30, ecutrho=360
starting_magnetization(1)=0.2,
ibrav=1,nspin=2,occupations="fixed",
nat=2,ntyp=1,tot_charge=0.0,tot_magnetization=6.0
lda_plus_U=.true.,Hubbard_U(1)=3.0, Hubbard_alpha(1)=1D-40
/
&ELECTRONS
startingwfc="random", startingpot="random",
mixing_beta=0.4,conv_thr=1D-6,electron_maxstep=4000
/
ATOMIC_SPECIES
Fe 55.845 Fe.pbe-sp-van.UPF
ATOMIC_POSITIONS (angstrom)
Fe 0.0000000 0.000000 0.000000
Fe  0.0000000 0.000000 2.100000
K_POINTS (automatic)
 1 1 1 0 0 0