[Pw_forum] LO-TO splitting
akohlmey at cmm.chem.upenn.edu
Tue May 1 14:54:11 CEST 2007
On Tue, 1 May 2007, Ezad Shojaee wrote:
ES> when i use phonon calculation for Gamma point, i do not have splitted modes,
ES> for example i have E_u mode, not E_u(LO) and E_u(TO).
ES> what's the point?
did you search the pw_forum mailing list archives?
a simple search for 'LO-TO Gamma site:democritos.it'
spits out about 50 hits out of which a third looks
like they are relevant to your question.
have you looked at the user's guide?
this kind of question pops up quite often and i bet
a pint of your favorate beverage that the answer to
your question is already there.
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ES> Pw_forum mailing list
ES> Pw_forum at pwscf.org
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
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