Skip to Content.
Sympa Menu

forum - Re: [abinit-forum] Can abinit identify phonon irreducible representation?

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] Can abinit identify phonon irreducible representation?


Chronological Thread 
  • 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







Archive powered by MHonArc 2.6.16.

Top of Page