i am doing the linear response calculation so how can i do frozen phonon calculation
On Wed, Aug 24, 2011 at 10:54 PM, Mike Mehl <Michael.Mehl at nrl.navy.mil>wrote: > To keep from boring everyone, I'm taking this off-line. If anyone else > wants to participate in the discussion please let me know and I'll add > you to the conversation. > > On 08/24/2011 01:07 PM, bhabya sahoo wrote: > > ok but i have seen many papers that this B2 unstability due to some > > anaharmonic contributions > > or it may be due to band closing phenomenon > > can u explain this more correctly because i am doing calculation on > > transition metal carbides > > On Wed, Aug 24, 2011 at 9:01 PM, Mike Mehl <Michael.Mehl at nrl.navy.mil > > <mailto:Michael.Mehl at nrl.navy.mil>> wrote: > > > > -- > Michael J. Mehl > Head, Center for Computational Materials Science > Naval Research Laboratory Code 6390 > Washington DC > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110824/96af46ed/attachment.htm
