[molpro-user] density fitting basis

[Gerald Knizia]

On Wednesday 24 March 2010 15:13, Attila Bende wrote:
> How I could use density fitting calculation with def-qzvpp-jkfit basis set?

The input you supplied works for me. I seem to remember that some versions of 
Molpro insisted on specifying basis sets, for example, as "def2-qzvpp/jkfit" 
instead of "def2-qzvpp-jkfit", but either appears to do what it should now.

Note, however, that the complete def2-sets were not added to the Molpro 
library until rather recently. So you might need to patch up your Molpro 
version to the current release.
-- 
Gerald Knizia