CRYSTAL03 - a tool for solid state chemistry

CRYSTAL03, the new version of the periodic ab-initio CRYSTAL code is
 is now available at the official web site:
 http://www.crystal.unito.it
 and replaces the former CRYSTAL98 program.
 The CRYSTAL program computes the electronic structure of periodic
 systems within Hartree Fock, Density Functional or various hybrid
 approximations.
 The Bloch functions of the periodic systems are expanded as linear
 combinations of atom centred Gaussian functions
 The code may be used to perform consistent studies of the physical,
 electronic and magnetic structure of crystalline solids, surfaces,
 polymers and molecules. A list of applications in solid state
 chemistry and physics that gives an overview of the program
 capabilities is available at:
 http://www.crystal.unito.it/compounds.html.
 For a detailed list of features see:
 http://www.crystal.unito.it/features.html
 Also available on the web-site are:
 a) http://www.crystal.unito.it/demo.html
 A free DEMO version (for Linux platform only ) with all the
 functionalities of the full version but restricted to a maximum of 4
 atoms in the primitive cell (input  examples are also supplied)
 b) http://www.crystal.unito.it/tutojan2004/tutorials/index.html
 a set of TUTORIALS, that helps in preparing inputs, interpreting
 outputs and running the code for specific cases (for example:
 surfaces and catalysis, magnetism in transition metal compounds).
 c) http://www.crystal.unito.it/Manuals/crystal03.pdf
 the CRYSTAL manual, with information on the adopted algorithms and a
 full documentation of features.
 d) http://www.crystal.unito.it/priceplat.html
 information about the price policy and the available hardware
 platforms (50% discount on the full CRYSTAL03 price to all regularly
 registered users of CRYSTAL88 and CRYSTAL92-95-98).
 CRYSTAL support team
 crystal-.at.-unito.it
 _____________________________________________________________________
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 From owner-chemistry-sponsorship  Mon Feb  9 09:28:38 2004
 Return-Path: <thomas_g_tensfeldt[at]groton.pfizer.com>
 Message-ID:
 <C735670CCC69D61193DA0002A58EE990084D1CF4[at]groexmb07.pfizer.com>
 From: "Tensfeldt, Thomas G"
 <thomas_g_tensfeldt[at]groton.pfizer.com>
 To: "'jlabanow[at]nd.edu'" <jlabanow[at]nd.edu>
 Subject: CCL: Questions about GRID implementation validation
 Date: Mon, 9 Feb 2004 09:28:38 -0500
 All,
 I'd be very interested in individual and institutional experience with the
 validation/qualification of GRID based systems for scientific computing. A
 working group is beginning to develop a document that will serve as a
 guideline/white paper for implementation of GRID systems for
 Pharmacokinetic/Pharmacodynamic modeling.
 Before reinventing the wheel, we'd like to ask people who may already have
 extensive experience with this and have similar guidelines in place
 already.  Any information along these lines would be welcome. I'll gladly
 summarize for the list.
 TIA,
 Tom Tensfeldt
 Pfizer Global Research & Development