[CP2K:2079] Basis set I

Teodoro Laino teodor... at gmail.com
Fri May 15 19:05:16 CEST 2009


In BASIS_MOLOPT there are a couple BSs for I.
If you cannot find them in your BASIS_MOLOPT, update from the CVS.

Teo

Francesco wrote:
> Hi to all,
>
> I need to simulate a system with Iodine. Browsing the berlios site
> I've only found the pseudopotential for I. Before entering the
> problems of building a basis set on my
> own, I wonder if there is someone that already built a basis set for
> I.
>
> Thanks a lot
> Francesco
> >
>   




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