[molpro-user] Problem with CC norm

Stavros Kardahakis skarda at chem.uoa.gr
Fri Jul 9 16:31:14 BST 2004

Dear MOLPRO users,

I have some problems with CCSD(T) calculations, both RCCSD(T) and
UCCSD(T). In particular, many times I get the error message:
"Unreasonable norm. Calculation stopped" and then the job crashes. Is
there any way someone can bypass this bottleneck (perhaps ask for
another type of normalization) of the CC routine?

Sincerely yours,

Stavros Kardahakis
National and Kapodistrian University of Athens
e-mail :skarda at chem.uoa.gr

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