[molpro-user] Prints a list of uncoupled pair energies
haibo yi
hbyi at postech.ac.kr
Wed Jun 8 09:24:08 BST 2005
Dear molpro-user,
I want to print a list of uncoupled pair energies before MP2 calculation. I want to such information, because I the problem "‘UNREASONABLE NORM’ messages." when I do CCSD(T) calculation. I have try the keyword "pairen", but it seems does not work. Could anyone tell me how to do that? Thank you in advace.
With best wishes
Yours,
Haibo Yi
More information about the Molpro-user
mailing list