[molpro-user] A question about Molpro calculation results

吴艳波 wuyb at gucas.ac.cn
Wed Jun 16 11:59:06 BST 2010

Dear Colleagues
I am a new user of Molpro. 
Here, I have a question about the results of Molpro calculations.
In the output files of CCSD(T) single point calculation, I saw the following three lines after CCSD part:
 Norm of t1 vector:      0.14674325      S-energy:     0.00000008      T1 diagnostic:  0.01729386
                                                                                                         D1 diagnostic:  0.03928771
 Norm of t2 vector:      0.80498319      P-energy:    -1.14561206
Could you please tell me the meaning of these items and the normal range of corresponding values.

Yan-Bo Wu
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