Hi Luanga: YOu will need to get FEFF8 Details are available at http://leonardo.phys.washington.edu/feff/ Carlo 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. Cheers, Luanga

-- 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@iit.edu http://www.iit.edu/~segre segre@debian.org