Hey,

I am quite new to EXAFS and therefore very glad about this mailing list, it helps a lot.

My question is about the fuzzy degeneracy mentioned in the paper "Path degeneracy and EXAFS analysis of disordered materials" (Ravel, B. J Synchrotron Radiat. 2014 Nov;21(Pt 6):1269-74.)

I investigate disordered systems like aqueous salt solutions and would like to use the method on my FEFF calculation. However, I obtained my structure for the FEFF calculation from a MD-Simulation and would like to average over several hundreds of FEFF calculations. To handle this amount of data I use LARCH, which doesn’t have the feature to degenerate similar paths to one. I would like to use the method by myself to degenerate the first coordination shell of my oxygen atoms around the salt.

How do you merge the FEFF parameters from each scattering paths after they are grouped together in a bin with the extended pathfinder algorithm (I think, you can’t just make an average of for example the phase shift or the mean free path … right?)

Best regards and thanks a lot!

Mirko