Masoud Nahali wrote: > Dear QE users > > Until now I have not found a clear cut explanation about occupations ! > the reference that is suggested by Nicola is short.
Chap 4 of http://quasiamore.mit.edu/phd . Look also at e.g. the paper by De Gironcoli (single author) cited in there. nicola -- --------------------------------------------------------------------- Prof Nicola Marzari Department of Materials Science and Engineering 13-5066 MIT 77 Massachusetts Avenue Cambridge MA 02139-4307 USA tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu
