Subject: new version of DeFT available

From: [email-masked] (Alain St-Amant)
Date: Fri, 28 Aug 1998 11:46:43 -0400

Hi Everyone,

A new version of our DeFT gaussian density functional program can be
downloaded from our website (http://www.chem.uottawa.ca/DeFT.html).

Though this version does not contain our recent work on linear scaling
methods, it is a significant improvement over the previously released
version of DeFT as the SCF convergence is improved and redundant internal
coordinates are used for the geometry optimizations.  Once our linear
scaling routines become less experimental, more robust, we will release
them at the above web site.  Please also note that DeFT does have
gradient-corrected functionals, but hybrid (i.e., B3LYP) functionals are
not included as the requisite four-center/two-electron integrals are not
a part of DeFT.  Basis sets for all elements up to Xe are included.

DeFT is freely distributed to any researcher.  This version runs on all
platforms to which we have access: a Pentium running under RedHat Linux,
an IBM RISC workstation, and a Cray T3E (it runs efficiently over a limited
number of processors, depending on the problem).  To run in parallel, MPI
must be installed on your system.

Take care,

Alain St-Amant
Department of Chemistry
University of Ottawa