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Re: [abinit-forum] ixc reference


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  • From: "Javier Lopez" <sklnw@hotmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] ixc reference
  • Date: Mon, 24 Feb 2003 12:42:52 +0000

Dear Tijssens,
You can find some information in the appendix of the article
"Separable dual-space Gaussian pseudopotentials" by S.
Goedecker, M. Teter and J. Hutter, Phys Rev B 54 1703 (1996)
Hope it helps!

Javier Lopez
Dpto Fisica Fundamental II
Universidad de La Laguna


From: "M.G.A.Tijssens" <M.G.A.Tijssens@LR.TUDelft.NL>
Reply-To: forum@abinit.org
To: abinit mailing list <forum@abinit.org>
Subject: [abinit-forum] ixc reference
Date: Mon, 24 Feb 2003 10:47:28 +0100

Dear abinitioners,

I have used the default ixc=1 for all of my calculations.
The bibliography does not mention a reference to a paper
on this Teter Pade approximation. Does anyone have the reference,
or should I refer to the Perdew-Wang '92 paper?

Best regards,
martin Tijssens
--
Dr. M.G.A. Tijssens T: +31 15 278 9552
Delft University of Technology F: +31 15 261 1465
Dept. of Aerospace Engineering E: M.G.A.Tijssens@lr.tudelft.nl
Postbus 5058
2600 GB Delft
The Netherlands


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