[Pw_forum] Problem with Raman and Infrared Active Modes

Paolo Giannozzi giannozz at democritos.it
Fri Oct 7 13:41:48 CEST 2011


On Fri, 2011-10-07 at 12:15 +0300, HASAN SAHIN wrote:

> all the modes (including acoustics) are both Raman and
>  Infrared active. Being both R+IR active of all modes
>  seems unphysical.

if there is no symmetry, all modes are both Raman- and IR-active

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy




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