GTH basis set for Pb with 5d10 included in valence
Alex Vozny
ovo... at gmail.com
Sun Jul 14 22:22:09 UTC 2013
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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20130714/b1f09795/attachment.htm>
More information about the CP2K-user
mailing list