[molpro-user] MCSCF problem with convergence

Aris Mitropoulos ametrop at yahoo.gr
Wed Mar 27 20:05:47 GMT 2013

Dear molpro users,

During some runs of MCSCF, I have noticed that although convergence had been reached the program kept running until the max number of iterations was reached (see attached temp.dat file).  Does anyone know why this happens and how it can be stopped?  It seems to mess up the optimization that follows the run.

Many thanks,
A. Metropoulos
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