[Pw_forum] LO-TO splitting

[Axel Kohlmeyer]

On Tue, 1 May 2007, Ezad Shojaee wrote:

ES> Hi
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.

axel.

ES> 
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-- 
=======================================================================
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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If you make something idiot-proof, the universe creates a better idiot.