[CPMD-list] Goedecker Fe pseudo

Silviu Zilberman silviu at Princeton.EDU
Tue May 9 19:36:34 CEST 2006


Dear Juerg and Matthias,

Thank you very much, I'll check these PP.

Regards, Silviu.

Matthias Krack wrote:
> Have look at 
>
>  http://cvs.berlios.de/cgi-bin/viewcvs.cgi/cp2k/potentials/Goedecker/cpmd
>
> cheers,
>
> Matthias
>
> 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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>>     




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