Apparent bug in MP3 portion of MP4 calculation

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I have an molecule containing several atoms, using GAMESS geometry, RHF and 6-31+G**, and treated by both softwares, where GAMESS uses its default convergence limit, etc., and find the differences of both ccsd and ccsd(t) energies are around 0.018 hartrees.
Edited On 9:12:07 PM PDT - Tue, Jun 20th 2017 by Xiongyan21

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Dear Jhammond
Sorry, I did not notice you used bohr as the unit, now the results from GAMESS agree well
with those from NWCHEM6.6.

But my molecule still has a bit large discrepancy, i.e., 0.018 hartrees.

Any suggestions?
Edited On 8:33:32 PM PDT - Tue, Jun 20th 2017 by Xiongyan21

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Now I know the difference might be caused by the NWCHEM input is not in the desired situation.
Edited On 1:33:52 AM PDT - Mon, Jul 10th 2017 by Xiongyan21


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