GTH basis set for Pb with 5d10 included in valence

Alex Vozny ovo... at
Sun Jul 14 22:22:09 UTC 2013

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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list