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Up Directory CCL April 08, 1994 [002]
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From:  E.T.Kelsey;at;midge.bath.ac.uk
Date:  Thu Apr 7 05:50:54 1994
Subject:   

It is not clear whether you are interested in molecules or
crystals; if the latter then our group uses the PARAPOCS
program which can perform free energy minimisation of
ionic crystal structures and calculates phonon dispersion
curves.  It includes the Buckingham, Lennard-Jones and
Morse potential types at least and the common harmonic
3- and 4-body terms.  The person to contact is Dr S.C.Parker
at the University of Bath (email S.C.Parker : at : bath.ac.uk) if
you are interested in using the program.

One reference to how PARAPOCS works is:
	S.C.Parker and G.D.Price
	Advances in Solid State Chemistry, 1, 295, 1989

If you have general questions about the program I will try
to help.  If you want access to the code you will have to
ask Dr Parker.

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