[molpro-user] Excessive gradient in CI error
ulimirandone at gmail.com
Thu Jan 21 04:23:22 GMT 2010
Hello, dear Molpro users.
I start a MCSCF/MRCI calculation for a potential energy curve but when it
starts the iterations I always get an error of "EXCESSIVE GRADIENT IN CI" at
any point, even when a previous calculation at the same point converged.
Could anybody help me solving this problem.
Thank you in advance.
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