[Pw_forum] Problem with Raman and Infrared Active Modes

Paolo Giannozzi giannozz at democritos.it
Fri Oct 7 15:35:13 CEST 2011


On Fri, 2011-10-07 at 15:54 +0300, HASAN SAHIN wrote:

> According to this, my system has a symmetry. 

it has no inversion symmetry. If I remember correctly, in systems
having inversion symmetry, modes are either IR- or Raman-active
but not both. Do you have any evidence that some of the modes 
indicated as active are not?

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




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