[molpro-user] A question about Molpro calculation results

[吴艳波]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20100616/5e067c33/attachment.html>