[molpro-user] problem with excited states via CIS

Seth Olsen s.olsen1 at uq.edu.au
Mon Sep 11 05:37:09 BST 2006

Hi Molpro-Users,

I am having trouble with the new Configuration-Interaction facility in 
Molpro2006.  I add the CIS command to the HF deck as instructed to do in 
the manual, and I the job crashes with the following error:

Unknown directive CIS for command HF-SCF

GA ERROR checkinp on processor   0

Is there a bug in this version?  Is there a patch needed to use CIS 
under HF?

I have attached the relevant output file (it isn't long).



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