Raman spectrum
Posted: Tue Jun 21, 2016 6:35 pm
Hi abinit users
how i can calculate the raman spectrum from the file tnlo_5.out
how i can calculate the raman spectrum from the file tnlo_5.out
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.
