Subject: Re:CISD error

From: Silmar Andrade do Monte <[email-masked]>
Date: Fri, 07 Dec 2001 10:22:35 +0100

Dear Hua-Jun,

    I would suggest to decrease the number of MO's used for correlation,
using the RW(read-window)
option(CISD=RW). You could start with a small number of MO's and then
increase it in steps. Using this
approach you can find out if the problem is due to the large number os
MO's and you can also have a
convergence of the property that you want to calculate without using so
many orbitals, saving computational
time.
                        Regards,
                                                    Silmar