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GNXAS
 
HARDWARE  VAX, UNIX
DOWNLOAD  Download the latest version Here
AUTHORS  Various authors. Email to Dicicco@unixas.unicam.it
 
NOTES 

The GNXAS package is and advanced software for EXAFS data analysis based on multiple-scattering (MS) calculations and a rigorous fitting procedure of the raw experimental data. The main characteristic of the software are:

  • atomic phase shifts calculations in the muffin-tin approximation based on atom self-consistent relativistic calculations. Account for the neighbors is taken.
  • Inclusion of inelastic losses through complex Hedin-Lundqvist potential.
  • Calculation of MS signals associated with two, three, and four atom configurations using advanced algorithms.
  • Use of an advanced fitting procedure that allows one;
    • to fit simultaneously any number of spectra containing any number of edges,
    • to use directly the raw data without any pre-analysis,
    • to account for complex background multi-electron excitation features,
    • to use various model peaks for the pair, triplet and quadruplet distribution functions, including non Gaussian models and extremal cases. In all cases absolute parameters can be fitted.
    • To treat liquid phase or disordered systems and extract reliable g(r) functions in the short range.
    • To perform a rigorous statistical error analysis and plot two-dimensional correlation maps.
  • To provide a flexible scientific tool for EXAFS data analysis where the user has access to every stage of the calculation. ******* GNXAS is not a black box. *******
  • Full modularity than makes easy to interface parts of the GNXAS software with other available software.

Its flexibility and advanced characteristics are essential to perform a modern EXAFS data-analysis and to extract accurately all the valuable information contained in your data.

More information is available from here.

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