GNXAS

The GNXAS package is a computer code 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:
+ 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 extreme 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.
- full modularity that makes easy to interface parts of the GNXAS software with other available software.