forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- From: liuyudong97@mails.tsinghua.edu.cn
- To: forum@abinit.org
- Subject: how to use constrait equation in relaxing the atom?
- Date: Fri, 24 Sep 2004 11:08:52 +0200
Dear all:
Abinit seems to permit the relax a atom in a fixed plane by employing the
structural optimization command------nconeq, natcon, iatcon, and wtatcon.I
guess that equations' formulasim possible is xi+yi=0.5 or sth.
Now,My question is:
How to use these command (or constrait equation) exactly? Can an expert show
me an example?
your help will be greatly appreciated!
by
yours
Yudong Liu
- how to use constrait equation in relaxing the atom?, liuyudong97, 09/24/2004
- Re: [abinit-forum] how to use constrait equation in relaxing the atom?, Steven Erwin, 09/27/2004
Archive powered by MHonArc 2.6.16.