Hi, The isotope effect only has impact on PHONON calculation. In this situation , you need to specify different atomic mass for the different isotopes. Please have a look at INPUT_PH.
Hopt it helps Regards, Hai-Ping On Fri, Oct 16, 2009 at 11:03 AM, loc duong ding <mambom1902 at yahoo.com>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 > -- Hai-Ping Lan Department of Electronics , Peking University , Bejing, 100871 lanhaiping at gmail.com, hplan at pku.edu.cn -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091016/da5bb099/attachment.htm