FEFF is a real-space full multiple scattering (RSFMS) Green's function method, but it is also possible to do calculations in k-space. It is a popular code for obtaining theoretical spectra, e.g. for EXAFS and XANES.
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Since it is a Green's function technique the computations are typically fast compared with other DFT methods. An older version, FEFF6, is freely available for EXAFS calculations. It is also available together with analyzing software, see link.
These experts have registered specific competence on this subject:
|Weine Olovsson (NSC)
|Computational materials science
|Application support, installation and help