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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