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 <[email protected]>
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 Qu?mica Fisica Aplicada
Facultad de Ciencias
Universidad Aut?noma de Madrid
28049 Madrid, Spain
Phone: +34 91 497 6706
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