Dear Matteo, When i cut the occupied state with "cut_occ_states=.true.", there is a small peak appeared at the energy of ef_r i set. In the element of "cut_occ", only cut_desmooth = 0.01 was set. The others are using default value. So what's the reason of this small peak? How to cut the occupied states smoothly? Thanks. With Regards, Min Wu 2010-10-23