Ga pseudo

Matt W mattwa... at gmail.com
Sat Feb 20 18:29:49 CET 2010


Thanks for the update.

Matt

On Feb 17, 4:53 pm, Matthias Krack <matthia... at psi.ch> wrote:
> Hi Matt,
>
> many thanks for reporting this error. I will provide a revised Ga semi-
> core PP for PBE asap.
>
> Matthias
>
> On Feb 17, 1:51 am, Matt W <mattwa... at gmail.com> wrote:
>
>
>
> > Hi,
>
> > there's a rather strange pseudo potential included in GTH_POTENTIALS
> > that appears to be generated for an excited state of Ga
>
> > Ga GTH-PBE-q13
> >     3    0   10
>
> > it also kills the new atomic guess routine, presumably because of the
> > above.
>
> > Matt



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