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- From: xhongjun <xhongjun@mail.ustc.edu.cn>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] Can abinit identify phonon irreducible representation?
- Date: Fri, 17 Oct 2003 10:59:59 +0800
Dear Masayoshi:
Thanks a lot for telling me a excellent website.
Regards,
xianghjun
mmikami@rc.m-kagaku.co.jp wrote:
Hello,
From the "Features" note (B.4):
"Symmetry characters of the phonons at Gamma are computed."
If you could consult with Space group references/books at hand
(and/or visit "Bilbao Crystallographic Server" -> "IR and Raman Modes"
http://www.cryst.ehu.es/rep/sam.html ), you could check such
properties (by hand). The visualization of eigen-vectors would also help.
The automatic detection seems on the wish list/under development.
(You may subscribe/unsubscribe the developer ML.)
Regards,
Masayoshi
- Re: [abinit-forum] Can abinit identify phonon irreducible representation?, mmikami, 10/16/2003
- Re: [abinit-forum] Can abinit identify phonon irreducible representation?, xhongjun, 10/17/2003
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