[Wien] EXAFS

[prasenjit roy]

Dear Prof Blaha, and Wien2K users,

                               I am using WIEN_13.1 to calculate x-ray
absorption spectra for a metallic system. I plotted K-edge spectra for Mn
in my material in the Near-edge region (-10 eV to 30 eV) [ i.e. XANES]. My
question is can I extend this to few hundred eV ( i.e. EXAFS) ? If
possible, what parameters ( like, number of bands, energy range etc ) we
need to change in order to do that. If the calculation is too expensive, is
there any estimate how big it can be (keeping same accuracy)? I will
appreciate your kind help. Thank you very much in advance.



With kind regards
Prasenjit Roy
Electronic Structures of Materials
Radboud University
Nijmegen
+31 (0) 24 36 52805
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