[Pw_forum] Fwd: Two-electric fields method for Raman spectroscopy

Luz Padro lpadro at gatech.edu
Tue Jul 20 05:27:50 CEST 2010


Dear QE users,

I have checked the following thread in the Quantum Espresso forum:

http://www.democritos.it/pipermail/pw_forum/2007-May/006479.html

At the moment, it is not clear to me if the method to compute the atomic
forces under the influence of two different force fields using the CP.X code
has been actually implemented for non-cubic crystalline systems. Or is it
the case that the method described in "Infrared and Raman Spectra of
Disordered Materials from First Principles", Diamond and Related Materials
14, 1255 (2005)" is only applicable to cubic lattices?

Thanks for your help,
lpadro,
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