[Pw_forum] gap in the phonon DOS

Nicola Marzari marzari at MIT.EDU
Sun Oct 25 15:55:54 CET 2009


Reza Ebraahimi wrote:
> 
> If not, what is the sign of this 
> splitting in the phonon dos diagram?
> Thanks again

You could also calculate the DOS with and without the non-analytic
contribution (not sure what's the simplest way - worse case scenario,
just put the effective charges to zero in the gamma file).

			nicola


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