[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
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