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LDA and GGA

From: "Zhang, Waigen" <wg.zhang@okstate.edu>
To: <forum@abinit.org>
Subject: LDA and GGA
Date: Mon, 16 Apr 2007 14:21:46 -0500

Title: LDA and GGA

Dear Abiniter,
My calculation with LDA and GGA end up with big difference in Total Energy.
In LDA,Etotal=174 har,while in GGA it's 166 har. Dose that make any sense?
By the way,all the other variables(such as ecut,ngkpt...) are the same in LDA
and GGA calculation.

Best,
Zhang,Waigen

LDA and GGA, Zhang, Waigen, 04/16/2007
- Re: [abinit-forum] LDA and GGA, Anglade Pierre-Matthieu, 04/16/2007
  - RE: [abinit-forum] LDA and GGA, Zhang, Waigen, 04/16/2007
    - Message not available
      - Re: [abinit-forum] LDA and GGA, Masayoshi Mikami, 04/17/2007
        
        RE: [abinit-forum] LDA and GGA, Zhang, Waigen, 04/17/2007
        
        Message not available
        
        Re: [abinit-forum] LDA and GGA, Masayoshi Mikami, 04/17/2007