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Re: [abinit-forum] PP for Ga with 3d as valence

From: Thomas Maxisch <Thomas.Maxisch@epfl.ch>
To: forum@abinit.org
Subject: Re: [abinit-forum] PP for Ga with 3d as valence
Date: Thu, 03 Oct 2002 10:14:36 +0200

Hello,

Thank you for the reference.

I have such potentials, with the usual editing they should
be readily usable with abinit. If you like, I can send them
to you.

This would be very kind. In order to simplify it, you can send me the ini files for the potentials. Then I can create them and the corresponding pictures with the fhi98pp code. Are they different from the standard examples which are in the bin/Elements directory of the distribution?

In my case I'm not so much interested in reproducing the exp. lattice constants than to be al close as possible to all electrons results.

Best regards,
Thomas Maxisch

RE: [abinit-forum] PP for Ga with 3d as valence, michel.cote, 10/02/2002
- <Possible follow-up(s)>
- RE: [abinit-forum] PP for Ga with 3d as valence, Thomas Maxisch, 10/02/2002
  - Re: [abinit-forum] PP for Ga with 3d as valence, Martin Fuchs, 10/02/2002
    - Re: [abinit-forum] PP for Ga with 3d as valence, Thomas Maxisch, 10/03/2002
- RE: [abinit-forum] PP for Ga with 3d as valence, michel.cote, 10/02/2002
- Re: [abinit-forum] PP for Ga with 3d as valence, g930102, 10/03/2002
  - Re: [abinit-forum] PP for Ga with 3d as valence, Vincenzo Fiorentini, 10/03/2002
    - Re: [abinit-forum] PP for Ga with 3d as valence, Thomas Maxisch, 10/03/2002
- Re: [abinit-forum] PP for Ga with 3d as valence, g930102, 10/06/2002