Subject: Wien97 ???

From: Dave Price <[email-masked]>
Date: Fri, 14 Aug 1998 17:20:05 +0100

Dear Colleagues,
                            I am interested in using Wien97
to do some MD - DFT simulations with Uranium
and Plutonium compounds.  Unfortunately, I cannot get
through to the web site for information or
contact names.  Can any one tell me which elements are
supported (specifically if U and Pu are
supported) and if it is feasible to do MD DFT with this
FP-LAPW code on clusters or cells with
around 4 U atoms/ions and 8 oxide ions?
        Thanks in advance for any help.
                    Cheers,
                                    Dave

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Dr. David W. Price,       Tel: +44 (0)118 9875123  extn 7415
Department of Chemistry,  Fax: +44 (0)118 9316331
University of Reading,    mailto:[email-masked]
Whiteknights,
READING                http://www.chem.rdg.ac.uk/g50/mmrg/dave/dave.html
RG6 6AD
U.K.

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