[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

 





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