[molpro-user] DMRG and FCIQMC with NBO6

Joe Greenstone greenstone at pobox.com
Wed Feb 26 01:44:04 GMT 2014

Is it possible to use DMRG and FCIQMC with NBO6?
If so, how might this be accomplished?
The manual does not suggest that a DM directive is available, nor mention a default code to which a density matrix is written.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20140226/801e97e7/attachment.html>

More information about the Molpro-user mailing list