On Wed, 2011-01-19 at 10:19 +0100, S. K. S. wrote: > > 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, Andrea > 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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Bonomea 265 Fax. 0039-040-3787249 I-34136 Trieste (Italy) e-mail: dalcorso at sissa.it
