[Pw_forum] Phonon LO-TO splitting in semiconductor with smearing

[Hans Lind]

Dear QE users

I am trying to do phonon calculations on AlN at non-zero fermi temperature
to get forces recalculated for higher temperatures. But since I need to use
smearing for that the code won't do LO-TO splitting as is needed in a
semiconductor. Normally to get LO-TO splitting handled correctly all I need
to do is omit the smearing keyword, but since I can't do it now, is there
anything that I can do to get the splitting even while using smearing?
Grateful for any suggestions.

Hans Lind
PhD student
Linköping University, Linköping, Sweden
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120413/785ae338/attachment.htm