forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

very big differece on calcalation on BaTiO3

From: Yongting Ma <ytma@gwu.edu>
To: forum@abinit.org
Subject: very big differece on calcalation on BaTiO3
Date: Thu, 27 May 2004 20:04:17 -0400
Priority: normal

Hi, All:

The difference of my calculation of the optimized lattice constan and
Energy of the cubic with other is about 100%. The detail is in attachment.

Can you give me some information about that!

Thank you
Yongting

Attachment: the detail.doc
Description: MS-Word document

very big differece on calcalation on BaTiO3, Yongting Ma, 05/28/2004
- Re: [abinit-forum] very big differece on calcalation on BaTiO3, Jerome, 05/28/2004
- RE: [abinit-forum] very big differece on calcalation on BaTiO3, Francois Detraux, 05/28/2004