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- From: Anurag Chaudhry <anuragchaudhry@yahoo.co.uk>
- To: forum@abinit.org
- Subject: [abinit-forum] Gd PAW data
- Date: Thu, 11 Feb 2010 23:48:55 +0000 (GMT)
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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
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
- Re: [abinit-forum] Gd PAW data, Josef Zwanziger, 02/12/2010
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