Subject: Re: CCL:software for self-interaction correction(SIC) of DFT

From: Serguei Patchkovskii <ps!at!ned.sims.nrc.ca>
Date: Wed, 29 Oct 2003 12:09:35 -0500 (EST)

On Wed, 29 Oct 2003 wxinmail!at!sohu.com wrote:
>   Does anyone have any suggestions or experiences with this problem? Are
> there other program packages that can be used to calculate the SIE of DFT?

ADF can do SIC-DFT. See www.scm.com

Serguei

---
Dr. Serguei Patchkovskii

Tel: +1-(613)-990-0945
Fax: +1-(613)-947-2838
E-mail: Serguei.Patchkovskii!at!nrc.ca

Coordinator of Modelling Software
Theory and Computation Group
Steacie Institute for Molecular Sciences
National Research Council Canada
Room 2011, 100 Sussex Drive
Ottawa, Ontario
K1A 0R6 Canada