[molpro-user] Properties evaluation on quasi-diabatic states?
Seth Olsen
seth.olsen at uq.edu.au
Fri Dec 21 04:43:09 GMT 2012
Is there a way to save densities of diabatic states in DDR for subsequent properties & orbital analysis? Many Thanks. -Seth
---------------------------------------------------
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
A public PGP key for this address is available on keyservers.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20121221/f04d542e/attachment.html>
More information about the Molpro-user
mailing list