[Ifeffit] Icosahedral cluster coordinates

Patrick Kluth patrick.kluth at anu.edu.au
Tue Jul 19 19:20:12 CDT 2005

That was quick! Thanks very much.

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).
>Ifeffit mailing list
>Ifeffit at millenia.cars.aps.anl.gov

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

Phone: +61 2 6125 0358
Fax: +61 2 6125 0511
Mobile: +61 408 66 31 04
Email: Patrick.Kluth at anu.edu.au

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