Subject: large scale calculations

From: Irena Efremenko <[email-masked]>
Date: Wed, 7 May 1997 11:03:40 +0300 (IDT)

Dear colleagues,

I need to calculate big (50-100 atoms) second and third row transition
metals clusters with geometry optimization. In this connection I have two
questions. First, does anybody know any available ASED or other EH based
program? Second, how can I do DFT calculations for such clusters and where
can I find corresponding parametrization for Pd, for example?

Thanks in advance,   

                       Dr. Irena Efremenko
                  [email-masked]
                  Chemical Engeneering Department,  
             Technion, Israel Institute of Technology
               Kyriat Technion, 32000, Haifa, Israel
             Tel. (972)-4-8292902  Fax. (972)-4-8230476