[Ifeffit] Fitting EXAFS simulation to experimental

[Carl Brozek]

Dear listhost,

I'm using Artemis as a front end for ATOMS and FEFF and I would like to
build a simulated EXAFS spectrum based on experimental data I have. I know
how to generate a simulation based on a .cif or .xyz file, but is it
possible to vary parameters in these input geometries to best match the
experimental?

Has someone implemented this in artemis or matlab?

thanks,
Carl

-- 
PhD Candidate | Chemistry | MIT
SB | 2010 | University of Chicago
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