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Re: [abinit-forum] Gd PAW data

From: Alain Jacques <ajs.jacques@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] Gd PAW data
Date: Fri, 12 Feb 2010 11:44:40 +0100
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Hello Anurag,

Same remark as Joseph - seems odd to me too. Do you mean that you want a Gd PAW pseudo without f projectors?

Kind regards,

Alain

On 2/12/10 24:48 AM, Anurag Chaudhry wrote:

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Hello Everyone,

I am interested in doing calculations for few Gd compounds. I found that the ABINIT PAW data table has pseudopotentials for both GGA and LDA functionals. However I am keen to use Gd pseudopotential with 4f electrons treated as core.

can anyone provide Gd PAW atomic data with such a configuration ?

thanks and regards,
Anurag

[abinit-forum] Gd PAW data, Anurag Chaudhry, 02/12/2010
- Re: [abinit-forum] Gd PAW data, Josef Zwanziger, 02/12/2010
  - Re: [abinit-forum] Gd PAW data, Joseph Morillo, 02/12/2010
- Re: [abinit-forum] Gd PAW data, Alain Jacques, 02/12/2010