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Is structural optimization with lda+u possible?

From: ye_linhui@yahoo.com
To: forum@abinit.org
Subject: Is structural optimization with lda+u possible?
Date: Tue, 18 Mar 2008 23:22:46 +0100

Is structural optimization with lda+u possible by abinit?

Is the force implemented in the Hellmann-Feynman force level? Does LDA+U
require extra terms to be calculated besides the H-F force term in abinit?

Thanks.

Is structural optimization with lda+u possible?, ye_linhui, 03/18/2008
- Re: [abinit-forum] Is structural optimization with lda+u possible?, TORRENT Marc, 03/19/2008