[Pw_forum] Raman intensity and problem in example 15 in the phonon examples

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Mon Apr 3 14:50:21 CEST 2017


On lundi 3 avril 2017 14:01:24 CEST Uri Argaman wrote:
> Dear QE users and developers
> I try to obtain Raman intensity using ph.x and dynmat.x. I run example 15
> in the phonon examples (espresso 5.4.0) and I get only IR intensity. The
> plot of gnuplot give the Raman intensity but it is just the frequency in
> Thz and not really the intensity:

Hello,
I do not have the time now to check what you did exactly, but have a look at 
this exercise about Raman cross section that I prepared for a school in 
january: 
<https://drive.google.com/drive/folders/0Bzgwv8VZEl9SRDQwckRJVlkyUzA>

If I remember correctly, the example 15 is a bit absurd and would need to be 
updated.

hth


-- 
Dr. Lorenzo Paulatto 
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05




More information about the users mailing list