Denominator is very low in MRCC
Forum Vet
7:56:10 AM PST - Mon, Nov 9th 2015
When BWCC was carried out for a molecule, after MR_BWCCSD had converged a correction began, but there were many steps showing Warning:Denominator is very low.
    What should be taken to make the calculation continue?

Forum Vet
2:58:15 AM PST - Fri, Nov 13th 2015
A slight increase of the size of the basis set used makes the calculation finish, and the activation barrier calculated is only a bit better than that obtained by CCSD implemented in GAMESS but worse than any other by CCSD level above coupled cluster method therein, whether in ROHF or RHF.


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