Dear Bipul Rakshit: As long as you can get the "effectiv charge" of AFM insulator, you can get the LO-TO splitting. However, I think it is difficult to deal with the "effective charge" of AFM insulator.
Maybe this could give you some help:) http://www.democritos.it/pipermail/pw_forum/2011-January/019131.html On Fri, May 27, 2011 at 11:13 AM, Bipul Rakshit <bipulrr at gmail.com> wrote: > Dear PWSCF users, > is it possible/implemented in PWSCF to get lo-to splitting in case of > anti-ferro magnetic insulator compounds? > thx > > -- > Bipul Rakshit > Research Associate, > S N Bose Centre for Basic Sciences, > Salt Lake, > Kolkata 700 098 > India > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- ____________________________________ Hui Wang School of physics, Fudan University, Shanghai, China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110527/e2729155/attachment.htm
