Dear Liu, In order to get LO-TO splitting you have to calculate phonons at the Gamma point (why?) and then apply dynmat.x.
Bests, Eyvaz. ------------------------------------------------------------------- Prof. Eyvaz Isaev, Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com --- On Thu, 8/20/09, liu hanyu <ouuing at gmail.com> wrote: > From: liu hanyu <ouuing at gmail.com> > Subject: [Pw_forum] Lo-To spliting > To: Pw_forum at pwscf.org > Date: Thursday, August 20, 2009, 1:07 PM > hello: > ? ? i? want to ask a question > that???I want to calculate Lo-To > spliting whether or not I only calculate the G > point frequency. can that get result what i want ? > ? thank you ! > > -- > -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=**=-=**=-=**=-=*=-=*=-=*=-=*=-=*=- > Hanyu Liu(???), > MS. > State key? Laboratory of Superhard Materials, Jilin > University, China > Email: ouuing at email.jlu.edu.cn? > ? ? ouuing at gmail.com > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
