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- From: mmikami@rc.m-kagaku.co.jp
- To: forum@abinit.org
- Subject: Re: [abinit-forum] ixc reference
- Date: Mon, 24 Feb 2003 19:32:41 +0900
Dear Martin,
I think that the equation described in the following paper
might also be referred to :
"Separable dual-space Gaussian pseudopotentials"
S. Goedecker et al. Phys. Rev. B54, 1703–1710 (1996).
http://prola.aps.org/abstract/PRB/v54/i3/ p1703_1?qid=9fcefed004eafa10&qseq=1&show=10
Kindly notice the appendix, and also take a look at
~ABINIT/Src_3xc/xcspol.f .
Hope this helps,
Masayoshi
On 2003.2.24, at 18:47 Asia/Tokyo, M.G.A.Tijssens wrote:
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
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2600 GB Delft
The Netherlands
- Re: [abinit-forum] ixc reference, Javier Lopez, 02/24/2003
- <Possible follow-up(s)>
- Re: [abinit-forum] ixc reference, mmikami, 02/24/2003
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