[molpro-user] freezing orbitals in multi
alister.page at studentmail.newcastle.edu.au
Fri Jul 29 22:37:54 BST 2005
I am currently playing around with the multi program, and I would like to be able to freeze more scf optimised orbitals than molpro will let me - i.e. at present, molpro is giving me: TOO MANY ORBITALS ON FREEZE CARD \ ERROR EXIT. Does anyone know of a way to get around this without having to tweak and recompile the program?
Molecular Structure and Detection Group
School of Environmental & Life Sciences
The Faculty of Science & IT
The University of Newcastle
University Drive, Callaghan, NSW, 2308.
Room: LS4.03 (Life Sciences Building)
Ph: 4921 7894
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