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- From: chemnitzer1982@freenet.de
- To: forum@abinit.org
- Subject: pseudopotential questions
- Date: Thu, 24 Feb 2005 10:19:28 +0100
Hello!
I have some questions regarding the Troullier-Martins pseudo potential
files and the data countained therein.
I am working on a program to visualize the potentials.
1.
Does l=0 mean s
l=1 p
l=2 d?
(l=angular momentum)
2.
How are the the projections meant to be used, is there a
descrtiption on what they reflect exactly?
3.
How should I scale the radius? I think that the last values
should be about 2nm, but they are some 10^xx big.
And I think the radius starts off at the atom core radius?
Where do I get the atom core radius of a certain atom (say
Si for example)?
Regards,
Hans-Henning Klos
---------
- pseudopotential questions, chemnitzer1982, 02/24/2005
- Re: [abinit-forum] pseudopotential questions, Masayoshi Mikami, 02/26/2005
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