feff85exafs: open source standards for EXAFS analysis

36b429d92ffc266d1abf718a18865c0e?s=47 Bruce Ravel
August 23, 2015

feff85exafs: open source standards for EXAFS analysis

We present recent developments on feff85exafs, a version of feff tailored for EXAFS analysis and released with a license allowing for modification and redistribution. First, we have made capabilities of feff available in the form of libraries which can be compiled against programs written in Fortran or C or bound for use by dynamic languages such as Python or Perl. Second, we have developed a framework wherein aspects of the theory can be examined for their impact on EXAFS data analysis by methodical testing against a curated suite of measured EXAFS data. We demonstrate that the use of self-consistent potentials has scant impact on EXAFS fitting results.


Bruce Ravel

August 23, 2015