[Pw_forum] Problem with Raman and Infrared Active Modes

HASAN SAHIN hasanx at gmail.com
Fri Oct 7 11:15:40 CEST 2011


Dear all,

When I calculate phonon spectra of my structure I see that all the modes
(including acoustics) are both Raman and Infrared active. Being both R+IR
active of all modes seems unphysical.  Did anyone experience this type of
error ?

-- 

*SINCERELY

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  Hasan Sahin
  Bilkent University
  National Nanotechnology Research Center

  http://www.bilkent.edu.tr/~shasan/

  http://www.researcherid.com/rid/G-4747-2010

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