Denominator is very low in MRCC

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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?
Edited On 6:57:12 AM PST - Mon, Nov 9th 2015 by Xiongyan21

Gets Around
Threads 36
Posts 165
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.
Edited On 2:10:46 AM PST - Wed, Nov 25th 2015 by Xiongyan21


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