That was quick! Thanks very much. Patrick At 08:06 PM 19/07/2005 -0400, you wrote:
Hi Patrick,
Hopefully this will do it. A disclaimer: I never actually tested this on an icosahedral material, and I did the coordinates by hand, so I can't guarantee it.
--Scott Calvin Sarah Lawrence College
I am working with metal clusters and would like to do some FEFF calculations on icosahedral clusters. Is there anyone out there who has a FEFF input file (or equivalently a list of coordinates) for an icosahedral cluster (147 atoms is probably sufficient for my purpuses).
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--------------------------------------------------------------------------------- Dr. Patrick Kluth ARC Australian Postdoctoral Fellow Department of Electronic Materials Engineering Research School of Physical Sciences and Engineering The Australian National University Canberra, ACT 0200 AUSTRALIA Phone: +61 2 6125 0358 Fax: +61 2 6125 0511 Mobile: +61 408 66 31 04 Email: Patrick.Kluth@anu.edu.au http://www.rsphysse.anu.edu.au/eme ---------------------------------------------------------------------------------