forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

[abinit-forum] {Spam?} Consult a basic physics concept in calculating phonon

From: yx_pxmu <yx_pxmu@163.com>
To: forum@abinit.org
Subject: [abinit-forum] {Spam?} Consult a basic physics concept in calculating phonon
Date: Tue, 11 Aug 2009 19:45:33 +0800 (CST)

Dear all,

In principle ,do I definitely get positive phonon frequency at q=(0,0,0) after I relax the cell shape and ion position completely ? I met a problem of getting imaginary frequency after the relaxation of both the cell shape and ion position .

Thanks for hint.

Yuanxun

没有广告的终身免费邮箱,www.yeah.net

[abinit-forum] {Spam?} Consult a basic physics concept in calculating phonon, yx_pxmu, 08/11/2009
- Re: [abinit-forum] {Spam?} Consult a basic physics concept in calculating phonon, Josef Zwanziger, 08/11/2009
  - Re: [abinit-forum] {Spam?} Consult a basic physics concept in calculating phonon, matthieu verstraete, 08/11/2009
- Re: [abinit-forum] {Spam?} Consult a basic physics concept in calculating phonon, liu hanyu, 08/12/2009