[Ifeffit] ATOMS for XANES simulation by FEFF8.4

[Bruce Ravel]

On 09/16/2015 11:20 AM, María Elena Montero Cabrera wrote:
> In the latest version of Artemis (before the release of Demeter) it was
> possible to edit preferences for running FEFF. I mean, when I acquired
> the FEFF version 8.4, I could tell Artemis to run this FEFF, instead of
> FEFF6. In the current version of Artemis may be it is, but I didn't find
> this possibility. Would somebody advice me in this task?

Feff8 is poorly supported in the current version of Artemis.  That said, 
this has been discussed many times on the mailing list and can be found 
in the archives.

I am working towards transitioning Artemis to use feff85exafs 
(https://github.com/xraypy/feff85exafs), but that will take a few months.

This is relevant to the feff6/feff8 discussion:
   http://bruceravel.github.io/SCFtests/scf.html

B


-- 
  Bruce Ravel  ------------------------------------ bravel at bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Building 535A
  Upton NY, 11973

  Homepage:    http://bruceravel.github.io/home/
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