On Sun, Apr 8, 2012 at 12:17 PM, henry odhiambo <henod2001 at yahoo.com> wrote:
> Hello colleagues, > > I am calculating the phonon frequencies for stable ( or hexagonal) GST > (Ge2Sb2Te5). I am getting some negative values (contrary to the notion of > stability and literature). I used the unrelaxed structure to do the > calculations. Could this be the reason? > yes. check out how phonons are calculated and then it will be evident why. axel. > > Henry Otunga > Dept. of Physics > Maseno UNiversity > Kenya > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0 College of Science and Technology Temple University, Philadelphia PA, USA. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120408/ff851401/attachment.htm
