[CPMD-list] Goedecker Fe pseudo

[Juerg Hutter]

Have a look in

http://cvs.berlios.de/cgi-bin/viewcvs.cgi/cp2k/potentials/Goedecker/cpmd/pbe/?sortby=date

regards

Juerg Hutter

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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 Tue, 9 May 2006, Silviu Zilberman wrote:

> Hi,
>
> Does anyone have a Goedecker pseudopotential for Fe (PBE or BLYP)? I couldn't 
> find it in the Goedecker PP library that comes with CPMD 3.11.1. There is 
> only Pade type PP, which (I assume) is an LDA(?).
>
> Thanks, Silviu.
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