Looks like your Fermi level is around the top of the d bands... If that is correct, I see no discrepancy. Guido
On 10/15/2012 08:35 AM, Sakhrawi Taoufek wrote: > the Fermi energy is 14.7785 ev > what different to that found in representative density (see attachment file) -- Guido Fratesi Dipartimento di Scienza dei Materiali Universita` degli Studi di Milano-Bicocca via Cozzi 53, 20125 Milano, Italy