[molpro-user] freezing orbitals in multi

Alister Page 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?


Alister Page
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
Homepage: http://msdg.science.uncle.newcastle.edu.au/members/alister.htm
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20050729/227bfd6e/attachment.html>

More information about the Molpro-user mailing list