[RMCProfile-users] Issue with multiple scattering paths - EXAFS

[Martin Schon]

Hi RMC community,

I'm trying to use RMC profile to model EXAFS data of amorphous and nanocrystalline metal oxides (NiOx, MoOx). RMCprofile works quite well for amorphous materials where I only use single scattering paths, but for the nanocrystalline materials I need to include multiple scattering paths.

However, as soon as I try to include any multiple scattering paths, the chi^2  and the calculated EXAFS show up as NAN. So I'm guessing that there is a zero hidden somewhere for an expected value, but I've checked all the input files and they (as far as I can tell) look like they're supposed to (compared to the tutorial files).

Has anyone run into this problem and is there a solution?

Thank you already!

Cheers,
Martin

(Sorry if this question has already been posted, I just couldn't find anything in the archives)


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