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ABINIT PP format

From: "Nichols A. Romero" <nromero@uiuc.edu>
To: forum@abinit.org
Subject: ABINIT PP format
Date: Wed, 20 Oct 2004 23:48:54 -0500

Hi,

I was wondering if anyone out there had a program that could convert the
PP output format from the JL Martins ATOM code into one of the ABINIT
formats. I would generate the PP with fhi98PP but it actually seems to
fail, complaining about convergence.

Does anyone know if there are any significant differences in how the
Hamann procedure for unbound states is implemented between these codes?
In my case, it is failing for 5f of Iridium in fhi98pp but it succeeds
ATOM code.

Bests,
--
Nichols A. Romero

4-133 ESB, MC 704 508 East Michigan Avenue
1110 West Green Street Apartment 12
Urbana, IL 61801-3080 Urbana, IL 61801-5176
(217) 333-6108 (217) 417-5210

ABINIT PP format, Nichols A. Romero, 10/21/2004
- Re: [abinit-forum] ABINIT PP format, Andrew M. Rappe, 10/21/2004
  - Re: [abinit-forum] ABINIT PP format, Nichols A. Romero, 10/21/2004
    - Re: [abinit-forum] ABINIT PP format, Andrew M. Rappe, 10/21/2004
- Re: [abinit-forum] ABINIT PP format, Martin Fuchs, 10/21/2004