[Q-e-developers] Fwd: Partial Phonon Density of States per element

Paolo Giannozzi p.giannozzi at gmail.com
Thu Sep 29 22:12:47 CEST 2016


Does anybody know the state of the art (if any) of projected phonon dos?
Paolo
---------- Forwarded message ----------
From: Rodrigo E. Menchón <menchon at ifir-conicet.gov.ar>
Date: Thu, Sep 29, 2016 at 8:24 PM
Subject: Partial Phonon Density of States per element
To: paolo.giannozzi at uniud.it


Dear Mr. Giannozzi,
My name is Rodrigo Menchón. I am a PhD in Physics student from Rosario,
Argentina. I attended to the Quantum Espresso Spring School 2015 held at
Córdoba, Argentina. It was a wonderful experience to me.
I was wondering whether you would be so kind as to answer my following
question:
Is it possible to use Quantum Espresso to obtain frequency dispersion
partial projected phonon density of states plots for each kind of atom in a
simulation?
I was able to find a previous answer from 2004
<http://qe-forge.org/pipermail/pw_forum/2004-April/075588.html>, but
perhaps nowadays this has been implemented.
Thank you very much.
I am looking forward to your response.
Yours sincerely,
Rodrigo Menchón


-- 
Rodrigo Ezequiel Menchón
IFIR - Instituto de Física Rosario
Bv. 27 de Febrero 210 bis
Rosario, Santa Fe, Argentina





-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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