Hi everybody, I need help.
I have calculated fermi energy of Fe in espresso and castep (MS 6.0). The espresso's fermi energy is near to 14 as one of its example (I used 5.0.2 version). but for castep it is near to zero. I should add that for Fe I used supercell, but for castep I used unit cell. Regards D. Foster Ph.D. Student of Chemistry
