[Ifeffit] path averaging in Artemis

[Simon Cassidy]

Dear Bruce,

I've run into a problem with the new artemis' path finder. When running the attached feff.inp file in atoms, two separate paths are merged together.

The two paths it is merging are Se-Fe2 (N=4, reff=4.456) and Se-Fe3 (N=8, reff=4.465) which it gives as (N=12, reff=4.4621). The same problem occurs for these paths when starting with the Fe core.

The same feff.inp file generates the right path list when run in the old version of artemis. Please could you take a look at this?

Many thanks,

Simon


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