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AtomPaw

From: Pascal Rausch <rausch@physik.rwth-aachen.de>
To: forum@abinit.org
Subject: AtomPaw
Date: Mon, 16 Apr 2007 10:27:15 +0200

Hi,

I am starting to generate PAWs with Atompaw, now I am wondering how would I choose the number of points for my logarithmic grid when using atompaw2abinit?

Yours sincerely,

Pascal Rausch

The errro of E_g for Si is so big betweeen the computational and experimental results., Hongyi Zhao, 04/15/2007
- AtomPaw, Pascal Rausch, 04/16/2007
  - Atompaw generated Ge error: Sphere grid data are inconsistent (rcut/=r(imax)), Pascal Rausch, 04/16/2007
    - Re: [abinit-forum] Atompaw generated Ge error: Sphere grid data are inconsistent (rcut/=r(imax)), Natalie Holzwarth, 04/17/2007
  - Re: [abinit-forum] AtomPaw, Guillaume Dumont, 04/16/2007
- <Possible follow-up(s)>
- Re: The errro of E_g for Si is so big betweeen the computational and experimental results., paul . boulanger, 04/15/2007