Subject: Failure in conical optimization

From: Silmar Andrade do Monte <[email-masked]>
Date: Fri, 01 Jun 2001 16:28:17 +0100

Dear all,

    I am trying to optimize a conical intersection between the 2nd and
3rd MCSCF states, as i said in my last message.
The strange thing is that, when i make the same running(with the same
geometry), but without the keyword opt=conical,
the MCSCF calculation converges without problems. However, when i
perform exactly the same calculation, but using
opt=conical(and of course nroot=3 as before) the MCSCF doesn't converge,
even at the first trial geometry. Does anyone
have an idea about the reason why this occurs? How to solve this
problem?

            Thanks in advance,
                                                        Silmar