[molpro-user] Density Fitting for Dunning DZP basis?

Seth Olsen seth.olsen at uq.edu.au
Tue Dec 13 03:43:48 CET 2016

Hi Molproers,

I’m getting an error using df-mcscf with basis={default=DZP}, which is Dunnings segmented DZP set.  I get this error with df-mcscf but not mcscf.  Is there an appropriate density-fitting basis available?  Recommendations welcome.

Many Thanks,
Seth Olsen, PhD.
Honorary Fellow
School of Mathematics & Physics
The University of Queensland
QLD 4072  Australia
Ph: +61 7 3365 2816
A PGP public key for this address has been uploaded to the key servers.

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