GTH basis set for Pb with 5d10 included in valence
Andrey Mysovsky
myso... at gmail.com
Sat Nov 29 06:26:35 UTC 2014
Dear Alex,
I am also looking for Pb14 basis set. Did you manage to find it or to fit
it using regtest-optbas?
Thanks,
Andrey
On Monday, July 15, 2013 7:22:09 AM UTC+9, Alex Vozny wrote:
>
> Hi,
> I am looking for a basis for Pb with d-orbitals.
> I find Pb14 in the default GTH_POTENTIALS so I suppose the basis should
> exist somewhere as well but there is only Pb4 in BASIS_MOLOPT file.
> Thanks.
> Alex.
>
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