Dear Prof. Andrea Dal Corso, Thanks a lot for your helpful reply.
I have further question, what one should do if the ground state is Ferromagnetic (FM) INSULATOR ? Is there any way ? Andrea wrote: The phonon with LSDA + constraint is not programmed. So it will not work. If the AFM insulator is the ground state then you should obtain it with noncolin=.true. without constraint. In this case ph.x at gamma should work and you should get the correct effective charges. If not please provide the complete input. ************************************************************************************* regards, Saha SK JNCASR Bangalore 560012 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110119/896782b5/attachment.htm
