[molpro-user] Can quasi-diabatic densities be saved for property evaluation?

Seth Olsen seth.olsen at uq.edu.au
Tue Dec 18 00:47:06 GMT 2012

Hi Molproers,

I was wondering if it was possible to save the densities of quasi-diabatic states in DDR for e.g. property evaluation.



Seth Olsen
ARC Australian Research Fellow
6-431 Physics Annexe
School of Mathematics and Physics
The University of Queensland
Brisbane QLD 4072 Australia
seth.olsen at uq.edu.au
+61 7 3365 2816
Unless stated otherwise, this e-mail represents only the views of the Sender and not the views of The University of Queensland

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20121218/38d1ddf3/attachment.html>

More information about the Molpro-user mailing list