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[sdpd] (unknown)

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Subject: [sdpd] (unknown)
From: "Roger M. Sullivan" <smsulliv...@pams.ncsu.edu>
Date: Thu, 23 Aug 2001 11:24:53 -500
Cc: smsulliv...@pams.ncsu.edu
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Hi Group, 

I am interested in polymorphism of some metal halides and have observed a periodic trend in the structure.  I wish to compare the Madelung energies of observed and theoretical structures for all the members of the series.  Does anyone know of a program I could download (GNU liscence or something similar)to do these calculations?

I am also using M. Whangbo's program CAESER to do extended Huckel calculations on the same series.

Roger

Roger M. Sullivan
Department of Chemistry, Box 8204
North Carolina State University
Raleigh, NC 27695-8204

Phone:  919.515.8924
FAX:    919.515.8909

smsulliv...@pams.ncsu.edu

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