Molpro: conical intersection

Matthew E. Cremeens mec34 at cornell.edu
Wed Sep 4 00:25:31 BST 2002


Hello!
   I want to perform an conical intersection search at the 
CASSCF(10,10)/6-31G* level on a molecule with 7 C's and 6 H's. In Gaussian, 
the job requests a memory allocation of almost 12GB. The system I am 
working with can handle up to 1.9GB but not 12GB.  Would I need so much 
memory with Molpro to run this calculation?  I am willing to sacrifice 
efficiency in the search algorithm so that I can reduce the memory 
requirement.
Thank you very much for your time! Matt




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