CCL: convergence problem with g09 calculation

From: "Zhanyong Li" <lizy2020(~)gmail.com>
Subject: CCL: convergence problem with g09 calculation
Date: Sat, 25 Dec 2010 21:27:51 -0500

 Sent to CCL by: "Zhanyong  Li" [lizy2020-#-gmail.com]
 Hi, everyone,
 Merry Christmas!!!
 I am doing some calculation on some metal complexes, using GENECP for the metal,
 and 6-31g(d') on C N F. The calculaton is still going, but the E(B3LYP) is
 oscillating a lot recently, so it won't reach the convergence.
 I have done one similar calculation before, it has the same problem. But after I
 shorten the stepsize to the minimum (iop(1/8=1)), it solve the problem, but this
 time it can not solve this problem just by doing that.
 Since I want to compare the two calculations, I do not want to change into the
 ultrafine grid.
 Whatelse can I do?
 Thanks!!!!
 Best regards