from ase.calculators.abinit import Abinit
from ase import Atoms, Hartree

system = Atoms('Fe')
system.center(vacuum=5.5)
system.set_initial_magnetic_moments([4.])

calc = Abinit(nbands=10, ecut=700., xc='LDA', pps='hgh')
calc.set_inp('nstep', 120)

system.set_calculator(calc)
system.get_potential_energy()