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- From: "Wu Rongqin" <g0203654@nus.edu.sg>
- To: <forum@abinit.org>
- Subject: RE: [abinit-forum] Soft Phonon modes
- Date: Fri, 9 Jan 2004 15:35:18 +0800
Dear Dr Ghosez,
I find that the dielectric tensor from abinis run is actually the
dielectric tensor for zero frequency. However, in your publications you gave
lot of tensor at infinite frequency. How to do such a calculation? Give me
some hints, please
Rongqin Wu
-----Original Message-----
From: Philippe Ghosez [mailto:Philippe.Ghosez@ulg.ac.be]
Sent: 2004年1月7日 15:39
To: forum@abinit.org
Subject: Re: [abinit-forum] Soft Phonon modes
>Hello all abinit users and good year:
>I want to know more on soft modes of vibrations (courses,
>publications..), can't anyone help me and send some references
>related to this subjects
>
>thank you very much.
Hello,
Some informations on the origin of unstable modes and structural
instabilities in ferroelectric compounds are available in lecture
notes accessible at the following address:
http://www.ulg.ac.be/phythema/Head/publi.htm
Look for the course :
"Microscopic Properties of Ferroelectric Oxides
from First Principles: Selected Topics"
( file : Lecture_Ferro-1-May02.ps.gz )
There are some informations in the Chapter on
the lattice dynamics.
Best wishes,
Philippe GHOSEZ.
----------------------------------
Philippe GHOSEZ
Universite de Liege
Institut de Physique, Bat. B5
Allee du 6 aout, 17
B- 4000 Sart Tilman
BELGIUM
Phone : ++(32) (0)4-366.36.11
Fax : ++(32) (0)4-366.29.90
E-mail: Philippe.Ghosez@ulg.ac.be
http://www.ulg.ac.be/phythema
----------------------------------
- RE: [abinit-forum] Soft Phonon modes, Wu Rongqin, 01/09/2004
- RE: [abinit-forum] Soft Phonon modes, Philippe Ghosez, 01/09/2004
- <Possible follow-up(s)>
- Re: [abinit-forum] Soft Phonon modes, mmikami, 01/09/2004
- RE: [abinit-forum] Soft Phonon modes, Wu Rongqin, 01/10/2004
- crystal thermodynamics, Pawel Scharoch, 01/13/2004
- Re: [abinit-forum] crystal thermodynamics, Gerbrand Ceder, 01/14/2004
- RE: [abinit-forum] crystal thermodynamics, Artem R. Oganov, 01/14/2004
- crystal thermodynamics, Pawel Scharoch, 01/13/2004
- RE: [abinit-forum] Soft Phonon modes, Wu Rongqin, 01/11/2004
- RE: [abinit-forum] Soft Phonon modes, Masayoshi Mikami, 01/14/2004
- RE: [abinit-forum] Soft Phonon modes, Wu Rongqin, 01/16/2004
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