[CPMD-list] Pt basis set

[Leandro Moreira de Campos Pinto]

Dear Dr. Axel,

Actually I'm looking for platinum pseudopotentials.

Thanks,

Leandro


Citando Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu>:

> On Thu, 24 May 2007, Leandro Moreira de Campos Pinto wrote:
>
> LM> Dear CPMD users,
> LM>
>
> leandro,
>
> LM> could anybody send me the basis set for Platinum??
>
> the basis set in CPMD is not element specific (plane waves)
> and is solely determined by the plane wave energy cutoff
> (which has to be adjusted to the hardness of the pseudodpotentials
> that you are using).
>
> do you mean you are looking for a pseudopotential for platinum?
>
> cheers,
>    axel.
>
> LM>
> LM> Best regards.
> LM>
> LM> Leandro
> LM>
> LM>
>
> --
> =======================================================================
> Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
>    Center for Molecular Modeling   --   University of Pennsylvania
> Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
> tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
> =======================================================================
> If you make something idiot-proof, the universe creates a better idiot.
>
>



-- 
**************************************************
* Leandro Moreira de Campos Pinto                *
* Grupo de Eletrocatálise e Reações Superficiais *
* Departamento de Química                        *
* Faculdades de Ciências, UNESP, C.P. 473        *
* Bauru, SP, CEP 17033-360, Brasil               *
* lmoreira at fc.unesp.br                           *
* http://www.fc.unesp.br/grupo_dafc              *
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