Hi abinit users
how i can calculate the raman spectrum from the file tnlo_5.out
Raman spectrum
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Raman spectrum
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ilukacevic
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- Joined: Sat Jan 16, 2010 12:05 pm
- Location: Dept. of Physics, University J. J. Strossmayer, Osijek, Croatia
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Re: Raman spectrum
Hi!
In these two papers, for example, you can find the procedure how to calculate Raman spectrum from the Abinit output data.
GEOPHYSICAL RESEARCH LETTERS, VOL. 33, L12S05, doi:10.1029/2006GL025736, 2006
PRB 71, 214307 (2005)
There's a lot of post-processing involved. And have in mind that only intensities are available.
Best regards,
Igor L.
In these two papers, for example, you can find the procedure how to calculate Raman spectrum from the Abinit output data.
GEOPHYSICAL RESEARCH LETTERS, VOL. 33, L12S05, doi:10.1029/2006GL025736, 2006
PRB 71, 214307 (2005)
There's a lot of post-processing involved. And have in mind that only intensities are available.
Best regards,
Igor L.
