As I know, frozen phonon method is not implemented in QE. You can use frozen-ph method either by the free software "phon", http://www.homepages.ucl.ac.uk/~ucfbdxa/, or make it manually like this tutorial: http://www.abinit.org/documentation/helpfiles/for-v6.8/tutorial/lesson_rf1.html, even though it is from Abinit. After all, once we have DFPT, why do you wanna frozen-ph ?
-- GAO Zhe CMC Lab, MSE, SNU, Seoul, S.Korea At 2011-08-25 02:06:10,"bhabya sahoo" <bdslipun at gmail.com> wrote: 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/20110825/7832f808/attachment.htm