Problem with CCSDT(2) Q

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Forum Vet

1:57:47 PM PDT - Mon, Sep 22nd 2014
Quote:P99 Sep 22nd 11:48 am NWChem 6.3 - yes. And it works for CCSDTQ but not for CCSDT(2)_Q. NWChem 6.5 - no. What version of NWChem have you been using for this CCSDT(2)_Q case? I'd rather deal with 6.5, thanks!