CCSD(T) level geometry optimization
kuznetsov at cc.usu.edu
Thu Aug 23 22:28:55 BST 2001
Dear Expert Users,
Thank you very much for all your advises! I've succeeded now in starting
MOLPRO. But I have new question. I want to make geometry optimization for
Li2O molecule. How should input be constructed in this case? Should it
contain the following commands:
or there exist other commands for geometry optimization at CCSD(T) level?
Thank you very much in advance!
More information about the Molpro-user