X-ray absorption spectra of XAFS, XANES, etc. First-principles calculation program "FEFF9"

■ This is an article posted on June 2019, 2, so the content of the information may be out of date.

First-principles calculation program for X-ray absorption spectra such as XAFS and XANES on Unipos website FEFF9 Page has been added.

FEFF9 Is the first principle for spectra of various atomic clusters such as XAFS (X-ray absorption fine structure), XANES (X-ray absorption near edge structure), and others developed by the research group of Professor John J. Rehr of Washington University. (ab initio) An automatic program for multiple scattering calculations. Compatible with Linux, Mac and Windows, the latest version, FEFF9, comes with a GUI.

About the latest version of FEFF9
Includes manypole self energy, RPA screened core hole, k-space calculation, EELS, NRIXS, JFEFF GUI, and improved Debye Waller treatment.