Subject: deMon2002 demo version

From: Serguei Patchkovskii <[email-masked]>
Date: Mon, 17 Feb 2003 11:50:10 -0500

Dear CCL members,

On behalf of the members of the deMon developers community, it is
my pleasure to offer a binary demo version of the most recent
version of deMon2002 for general download. The demo is found at
the following URL:

  http://www.deMon-software.com/public_html/demo.html

What deMon can do?

 * Perform density functional theory (DFT) calculations on large
   molecules, and within a reasonable time. 
 * Perform geometry optimization and frequncy analysis
 * Perform molecular dynamics calculations, on Born-Oppenheimer
   potential energy surface
 * Calculate NMR parameters (shielding tensors, NICS, electric
   field gradients ...)
 * Interface to popular visualization software (MOLDEN, MOLEKEL)
   for the analysis of the results.

The provided demo version is a fully functional program. It does not 
contain a time limit, and does not require activation. However, the 
demo version is limited in the following ways: 

 * The number of atoms is limited to 12 
 * The number of basis functions is limited to 100 
 * The number of fit funtions is limited to 100 
 * Only S, P, and D basis functions are supported 
 * The number of molecular dynamics steps is limited to 100 
 * Experimental MAG program is not included (NMR chemical shifts 
   are still available, with the MASTER-CS code) 

On behalf of the deMon developers community,

Serguei

---
Dr. Serguei Patchkovskii

Tel: +1-(613)-990-0945
Fax: +1-(613)-947-2838
E-mail: [email-masked]

Coordinator of Modelling Software
Theory and Computation Group
Steacie Institute for Molecular Sciences
National Research Council Canada
Room 2011, 100 Sussex Drive
Ottawa, Ontario
K1A 0R6 Canada