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

Ravel, Bruce bravel at bnl.gov
Wed Oct 17 09:50:01 CDT 2018

As I have said before, that's a feature, not a bug.



On 10/17/2018 10:19 AM, woschangqiang at 126.com wrote:
> 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: w <mailto:zhangchh at sxicc.ac.cn>oschangqiang at 163.com 
>>> <mailto:oschangqiang at 163.com>
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  Bruce Ravel  ------------------------------------ bravel at bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Lead Beamline Scientist, 06BM (BMM)
  Building 743, Room 114
  Upton NY, 11973

  Homepage:    http://bruceravel.github.io/home/
  Beamline:    https://www.bnl.gov/ps/beamlines/beamline.php?r=6-BM
  Software:    https://github.com/bruceravel
  Demeter:     http://bruceravel.github.io/demeter/

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