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[abinit-forum] {Spam?} About the Degrees of freedom of atoms in the abinit code.

From: Hongsheng Zhao <zhaohscas@yahoo.com.cn>
To: forum@abinit.org
Subject: [abinit-forum] {Spam?} About the Degrees of freedom of atoms in the abinit code.
Date: Fri, 15 Aug 2008 17:52:48 +0800
Organization: Chinese Academy of Sciences

Hi all,

We know that there're the following type of the Degrees of freedom:
translational, vibrational, and rotational.

So, I want to know whether the abinit code can deal with all of these Degrees
of freedom or not? In detail, if we say that a atom in a specific crystal
cell has Zero Degrees Freedom in the geometry optimization, we mean that the
translational, vibrational, and rotational of this atom are all be frozen or
only the translational mode of this atom is frozen?

Sincerely yours,
--
Hongsheng Zhao <zhaohscas@yahoo.com.cn>
Xinjiang Technical Institute of Physics and Chemistry
Chinese Academy of Sciences
GnuPG DSA: 0xD108493
2008-8-15

[abinit-forum] {Spam?} About the Degrees of freedom of atoms in the abinit code., Hongsheng Zhao, 08/15/2008
- Re: [abinit-forum] {Spam?} About the Degrees of freedom of atoms in the abinit code., Anglade Pierre-Matthieu, 08/25/2008