[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
===========================
Seth Olsen, PhD.
Honorary Fellow
School of Mathematics & Physics
The University of Queensland
QLD 4072 Australia
Ph: +61 7 3365 2816
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