[molpro-user] Error msg in CI

Benjamin Levine levine at chemistry.msu.edu
Fri Sep 9 11:20:07 BST 2011

This usually indicates an error in either the wf card or the occ and 
closed cards in an MRCI calculation.  What it means is that the number 
of reference configurations that can be constructed given the number of 
electrons specified in the wf card and the numbers of orbitals specified 
in the occ and closed cards is less than the number of states you are 
asking for.

All the best,

On 09/09/2011 06:03 AM, Aris Mitropoulos wrote:
> Dear all,
> Does someone know what the CI error message MORE STATES THAN REFERENCE 
> CONFIGURATIONS mean and how it can be fixed?
> Many thanks,
> A. Mitropoulos

Benjamin G. Levine
Assistant Professor
Department of Chemistry
Michigan State University
East Lansing, MI

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20110909/57fe0bb4/attachment.html>

More information about the Molpro-user mailing list