yes - SB On Jun 14, 2010, at 11:03 AM, loc duong ding wrote:
>> what's the gap of the unperturbed >> system? >> SB > > Actually, this is the firs time I calculate the Raman spectrum. I don't clear > about the gap of the unperturbed system? It means the electronic band gap? > > I appreciate to your explanation. I am sorry about my late reply. > > > >>> On May 31, 2010, at 6:10 PM, loc duong ding >>> wrote: > >>> Dear all, >>> >>> I want calculated IR and Raman of >>> nanoribbon. The problem is when the code calcualtion second order response, >>> it >>> is not convergence. >>> > ----------------------------------------------- > Loc Duong Dinh > Ms-Ph.D Student > Sungkyunkwan Advanced Institute of Nanotechnology, > Sungkyunkwan University, > Suwon, 440-746, Korea > Email: mambom1902 at yahoo.com, ddloc at skku.edu > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100614/f3204378/attachment.htm
