[Pw_forum] Raman and IR spectral

Paolo Giannozzi giannozz at democritos.it
Tue Oct 28 18:52:48 CET 2008


yumin qian wrote:

>     I have encontered a problems in calculation of Raman and IR 
> spectroscopy ,using ph.x
>     the crystal is metallic, so it can not be done ,
>    1 Why the IR or Raman calcualtion should only limited to the 
> insulating system .
>    2 How should I do if the system is metallic.

please search the pw_forum archive for "raman metals"

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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