[Ifeffit] difference of feff interpretation generated by different version of artemis

[woschangqiang at 126.com]

Hello, everyone. I recently ran into an issue in using Artemis software. 

I  used two  versions of Artemis  (Artemis 0.8.012 and Demeter 0.9.25) to generate the paths from the same input file (FeS2.inp), but there is big difference between the two path results.

e.g. 1, the path4 and path6 generated in Demeter 0.9.25  are not generated in Artemis 0.8.012, though they have a very low applitude.  

e.g. 2, the path7 in Demeter 0.9.25 is likely identical to path5 in Artemis 0.8.012 judging from the degenracy, reff, and amplitude, but their scattering name are different: (+)-S1-S2-(+) in Demeter 0.9.25 and (+)-S2-S1-(+) in Artemis 0.8.012.   In my opinion, the scattring sequence of photoelectron in multiple scattering affect the paramters of paths. Why do these two paths have different scattering sequence? Thanks very much for your help.
 


Qiang Chang
Institute of Coal Chemistry, CAS
Leyuan South II Street 1, Yanqi Development Zone
Huairou District, Beijing, POB. 101407
P.R. China
Email: woschangqiang at 163.com 

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