On Feb 11, 2011, at 17:09 , Giovani Faccin wrote: > My question: shouldn't those numbers be integers? only in finite systems, if you neglect spin-orbit. 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