> 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 ? > If the AFM state can be stabilized by symmetry, starting with opposite starting magnetizations, then the phonon code should work. If you need a constraint to stabilize the AFM ground state, then presently you cannot do a phonon calculation.
HTH, Dear Professor, Thanks a lot for your kind reply. I am still a bit confused. Is this your above reply implying that even if I get ferromagnetic insulator as ground-state, then also I need to follow the above method (which is for ANTI-FERROMAGNETIC insulator) to estimate the Born-effective charges ? Thanking you and with my best regards, Saha SK JNCASR Bangalore 560012 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110119/a1d9e735/attachment.htm
