FEFF

Software for ab initio X-ray absorption fine structure calculations

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Added 9 Jul 2026

Edited 22 Jul 2026 by Admin · history

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FEFF is a software program that performs automated multiple scattering calculations of X-ray Absorption Fine Structure (XAFS), X-ray Absorption Near-Edge Structure (XANES), and other spectra for clusters of atoms. It yields scattering amplitudes and phases used in various analysis codes, as well as other properties. The software has undergone several updates, including FEFF 9 and FEFF 8, which have introduced new features such as electron energy loss spectra calculations and improved treatment of crystalline systems.

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