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Re: [abinit-forum] GGA HGH pseudopotentials

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] GGA HGH pseudopotentials
Date: Thu, 6 Dec 2007 08:33:56 +0100
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Hi,

Just to mention the following: If you'd like to get very accurate result for tantalum (with respect to experiment), the LDA HGH pseudopotential used in combination with GGA (Yes this is dirty) result in elastic properties quite close to experimental one.

regards

PMA

On Dec 5, 2007 1:09 PM, <iloveabinit@gmail.com> wrote:

Dear All,

I find the GGA HGH pseudopotentials are very limited in the list of pseudopotentials pages. I notice that the GGA pseudopotential of Ta
is used in the paper PRB.72,214101,2005. However, this pseudopotential
is not available in the website. I wonder if we can generate GGA HGH pseudopotentials by ourselves. If so, is there any tool program?

Thank you very much!

Yours,

Bo Liu

--
Pierre-Matthieu Anglade

GGA HGH pseudopotentials, iloveabinit, 12/05/2007
- Re: [abinit-forum] GGA HGH pseudopotentials, Anglade Pierre-Matthieu, 12/06/2007