[molpro-user] CASSCF ORBITAL GUESS
John Sears
gtg390f at mail.gatech.edu
Wed Jun 8 18:37:42 BST 2005
Dear ALL
Is it possible to perform a CASSCF with a small basis set and then use these
orbitals as guess orbitals for the same CAS with a larger basis? Any help
with this would be greatly appreciated.
John
--
John Steven Sears
Center for Computational Molecular Science and Technology
School of Chemistry and Biochemistry
Georgia Institute of Technology
Atlanta, GA 30332-0400
Office: Boggs 3-19
Phone: 404-385-1310
email: john.sears at chemistry.gatech.edu
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