forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

[abinit-forum] A calculation of the electronic density that used cut3d

From: "Iwahori" <iwahori@murata.co.jp>
To: "abinit mailing" <forum@abinit.org>
Subject: [abinit-forum] A calculation of the electronic density that used cut3d
Date: Fri, 29 May 2009 13:33:56 +0900

Hello, abinit users.

Electronic density of BaTiO3(cubic) wants to calculate. However, the calculation result of Cut3d has only oxygen. Please teach how the in file should have been improved.
Please refer to an attached file.

Best regards.

-----
yoshihiro IWAHORI

Attachment: BT.in
Description: Binary data

Attachment: BTO.xsf
Description: Binary data

[abinit-forum] A calculation of the electronic density that used cut3d, Iwahori, 05/29/2009
- Re: [abinit-forum] A calculation of the electronic density that used cut3d, Anglade Pierre-Matthieu, 05/29/2009
  - Re: [abinit-forum] A calculation of the electronic density that used cut3d, Iwahori, 05/29/2009
    - Re: [abinit-forum] A calculation of the electronic density that used cut3d, matthieu verstraete, 05/29/2009
    - Re: [abinit-forum] A calculation of the electronic density that used cut3d, Anglade Pierre-Matthieu, 05/29/2009