[CPMD-list] pseudopotential for Au(gold)?

[Juerg Hutter]

Hi

there are several Au PP in CPMD format available.
see for example
http://www.pci.unizh.ch/gruppe.hutter/e/information/pplib.tar.gz
http://www.pci.unizh.ch/gruppe.hutter/e/information/vdb-pp.tar.gz
http://cvs.berlios.de/cgi-bin/viewcvs.cgi/cp2k/potentials/Goedecker/cpmd/

regards

Juerg Hutter

----------------------------------------------------------
Juerg Hutter                   Phone : ++41 44 635 4491
Physical Chemistry Institute   FAX   : ++41 44 635 6838
University of Zurich           E-mail: hutter at pci.unizh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
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On Fri, 10 Nov 2006, Tengfei Luo wrote:

> Dear all:
> I'm a newbie in CPMD and haven't even started any calculation yet. I thing I want to know before I look it this code is that is the pseudopotential for Au(gold) availble in this code? or I have to resort to other places for the potential.
>
> Sincerely,
>
> T. Luo