[Ifeffit] Ab initio calculations
segre at iit.edu
Mon Apr 6 14:37:36 CDT 2009
YOu will need to get FEFF8
Details are available at
On Mon, 6 Apr 2009, Luanga Nchari wrote:
> I would like to do ab initio calculations to get a theoretical XANES spectra. I have XYZ coordinates.....
> Could somebody remind me how I can run this on my PC.
Carlo U. Segre -- Professor of Physics
Associate Dean for Special Projects, Graduate College
Illinois Institute of Technology
Voice: 312.567.3498 Fax: 312.567.3494
segre at iit.edu http://www.iit.edu/~segre segre at debian.org
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