On Jul 6, 2012, at 8:03 , Abolore Musari wrote: > I would like to ask if it is possible for some band from valence > band to cross fermi level for a semiconductor material
if a band crosses the Fermi energy, it is not a semiconductor, by definition. > is there any explanation for this. there is a gap in your band strcture. Tthe Fermi energy is not where you placed it but 1eV or so above, somewhere in the gap P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
