IPCM convergence problems

From: "Jennifer L Radkiewicz" <jradkiew -x- at -x- odu.edu>
Subject: IPCM convergence problems
Date: Tue, 12 Nov 2002 13:45:19 -0500

Dear all,
 I am having trouble using the IPCM  method in Gaussian98 and have been
 unable to get a response from Gaussian itself. One single point job uses
 IPCM with MP2/6-311G** and MP2/6-31G* optimized gas phase geometries. The
 calculation eventually reaches a point where the MaxDiff starts to diverge
 during the Tomasi Approximation II section. The energy had been steadily
 decreasing up until this point. Three other calculations done on the same
 molecule but different conformations had no problem converging. Does anyone
 know a way to correct this problem?
 For another system, I am again having problems with IPCM. This time with
 B3LYP/6-31+G*. In this case, the calculation appears to get stuck in a loop
 and does not converge. There was no problem with these calculations when
 B3LYP/6-31G* was used. Any suggestions?
 Thank you for any help you can provide,
 Jennifer Radkiewicz
 Assistant Professor
 Old Dominion University
 jradkiew -x- at -x- odu.edu