[Pw_forum] Raman spectra

[Eduardo Ariel Menendez Proupin]

I think you need to use dynmat.x and obtain something like the following in
the standard output

#  mode   [cm-1]     [THz]      IR           Raman     depol
    1      0.00   -0.0001    0.0000         0.0000    0.7298
    2      0.00    0.0000    0.0000         0.0000    0.4596


Then, look at
http://www.democritos.it/pipermail/pw_forum/2012-January/023112.html

If there is some code to automatically produce a nice plot, let me know,
please.

---------- Mensaje reenviado ----------
From: Prasenjit Ghosh <prasenjit.jnc at gmail.com>
To: PWSCF Forum <pw_forum at pwscf.org>
Cc:
Date: Sat, 13 Oct 2012 17:18:08 +0530
Subject: [Pw_forum] Raman spectra
Dear all,

I have obtained the raman cross-section using ph.x

I want to plot the Intensity vs frequency plot of the raman spectrum. Is
there some executable or flag in the input files which calculates the data
or I need to write a small piece of code to do so?

With regards,

Prasenjit


-- 


Eduardo Menendez Proupin
Departamento de Química Fisica Aplicada
Facultad de Ciencias
Universidad Autónoma de Madrid
28049 Madrid, Spain
Phone: +34 91 497 6706
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