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Email to Dicicco@unixas.unicam.it|
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
- 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
- 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.