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- From: Petr R. <piiitrzs@seznam.cz>
- To: forum@abinit.org
- Subject: [abinit-forum] Analysis of phonon spectra
- Date: Tue, 24 Nov 2009 13:26:57 +0100 (CET)
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Dear Abinit users,
I analyzed phonon spectra of Al FCC crystal structure using Anaddb. To do
this at the first time I used parameter brav 2 (according to the help file:
specific for Face Centered lattices). At the second I used parameter brav 1
(all the lattices, including FCC, BCC and hexagonal). I compared phonon
spectra obtained by using brav 1 and brav 2 and there is a difference between
them! Can anybody explain me how Abinit performs the analysis?
Also I would like to perform an analysis of Al crystal which is under <100>
unaxial tension. But I don't really know what value of parameter brav I have
to use. Does anybody have an idea?
Best regards
Peter Rehak
Institute of Physical Engineering
Faculty of Mechanical Engineering
Brno University of Technology
Technicka 2, Brno 616 69, Czech Republic
- [abinit-forum] Analysis of phonon spectra, piiitrzs, 11/19/2009
- <Possible follow-up(s)>
- [abinit-forum] Analysis of phonon spectra, Petr R ., 11/24/2009
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