[CPMD-list] BLYP Trouiller-Martins normconserving PP for Oxygen

Juerg Hutter hutter at pci.unizh.ch
Mon Apr 5 18:17:03 CEST 2004


Hi

you can find a rather extensive library of pesudopotentials
collected by Mauro Boero on my web page
http://pciwww.unizh.ch/pci/hutter/information/information.html

Towards the end of the page there is

Pseudo potentials (containing HCTH functional)
atomc (code for generating pp's; originally from D.R. Hamann)
pseudo potential library (collection of pp's, including HCTH functional;
courtesy of Mauro Boero)

regards

Juerg Hutter


----------------------------------------------------------
Juerg Hutter                   Phone : ++41 1 635 4491
Physical Chemistry Institute   FAX   : ++41 1 635 6838
University of Zurich           E-mail: hutter at pci.unizh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
----------------------------------------------------------


On Mon, 5 Apr 2004, Jim Kress wrote:

> Anyone know where I can get a BLYP Trouiller-Martins normconserving PP for
> Oxygen?  I can't find one in the files distributed with CPMD or in the
> 'contributors' section.
>
> Thanks.
>
> Jim
>
>
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