FEFF8 is self-consistent real space multiple-scattering code for simultaneous calculations of
x-ray-absorption spectra and electronic structure. Output includes extended x-ray-absorption
fine structure (EXAFS), full multiple scattering calculations of various x-ray absorption spectra
(XAS) and projected local densities of states (LDOS). The spectra include x-ray absorption
near edge structure (XANES

XANES

X-ray Absorption Near Edge Structure , also known as Near edge X-ray absorption fine structure is a type of absorption spectroscopy. NEXAFS also at times used the abbreviation EXAFS....

), x-ray natural circular dichroism (XNCD), and non-resonant xray
emission spectra. Calculations of the x-ray scattering amplitude (Thomson and anomalous
parts) and spin dependent calculations of x-ray magnetic circular dichroism (XMCD) and
spin polarized x-ray absorption spectra (SPXAS and SPEXAFS) are also possible, but less
automated.

FEFF8 is used as external program to calculate basic spectra for XANES fitting using FitIt

FitIt

FitIt is user-friendly graphical software to fit X-ray absorption near edge structure . It can be used to determine the values of local atomic structure parameters on the basis of minimization between theoretical and experimental spectra. It is the program for the fitting and therefore it always...

.

Atomic scattering amplitudes and phase shifts are used for EXAFS fitting in IFEFFIT program suite.