peseudopotentials do not depend on the nuclear mass the electronic structure may depend on isotopic effect through the crystal geometry (which depend _very slightly_ on nuclear masses because of zero-point vibrations) and through electron-phonon effects. SB
On Oct 16, 2009, at 5:03 AM, loc duong ding wrote: > Dear PWSCF users, > > I am trying to consider effect of isotope. How can I get the PP of > isotope (ex. O(16) and O(17))? > > Best, ----------------------------------------------- > 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/20091016/9c8ac524/attachment.htm