On Aug 3, 2011, at 17:24 , Eduardo Ariel Menendez Proupin wrote: > I would like to calculate a Raman spectrum with PHONON for an > insulator > that is metallic in LDA and GGA. Is it possible to introduce easily > a scissors > shift to open the gap and allow the Raman calculation?
it is possible, but it is not implemented right now 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
