Subject: CRYSTAL03 - a tool for solid state chemistry

From: CRYSTAL <crystal-.at.-unito.it>
Date: Mon, 09 Feb 2004 11:46:49 +0100

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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