Subject: Re: CCL:Gaussian AIM Calculation Failure

From: "Dale A. Braden" <[email-masked]>
Date: Tue, 22 Jun 1999 14:53:04 -0700 (PDT)

Dear Steve,

I had this problem also, and there is no cure using G94 or G98.  Jerzy
Cioslowski was kind enough to look at one of my output files, and he told
me that the topology of the electron density in the metal sandwich
compounds I was modeling was beyond the current capability of the AIM
code. The PROMEGA algorithm contained in the AIMPAC package distributed by
Bader (http://www.chemistry.mcmaster.ca/aimpac/) worked in my cases, but
it only treats one atom at a time, and is very slow. 

Best wishes,

Dale

Dale Braden
Department of Chemistry
University of Oregon
Eugene, OR 97403-1253
[email-masked]