FEFF
Abstract
FEFF is an automated program for ab initio multiple scattering calculations of X-ray Absorption Fine Structure (XAFS) and X-ray Absorption Near-Edge Structure (XANES) spectra for clusters of atoms. The code yields scattering amplitudes and phases used in many modern XAFS analysis codes, as well as various other properties.
Details
- Author
- John Rehr, Jose Mustre de Leon, Steve Zabinsky, Alexei Ankudinov, Robert Albers, and others
- Platforms
- Windows, Mac OSX, Linux, Unix -- anything with a Fortran compiler
- Terms
- academic license: US$400, corporate license: US$2400
- Homepage
Compatibility
Phase shifts and amplitudes calculated using FEFF are used in EXAFS fitting programs including Software/Ifeffit, Software/WinXAS, Software/SixPack
Spectra from FEFF are used for XANES fitting in the Software/FitIt
Contact
John Rehr -- <SPAM SUPPRESSION feff AT phys DOT washington DOT edu>
- Citation
Theoretical approaches to x-ray absorption fine structure, Rev. Mod. Phys. 72, 621 - 654 (2000) http://link.aps.org/doi/10.1103/RevModPhys.72.621