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Version 7.7.0 of SPR-KKR available now (No replies)

2 months ago
sewipc 2 months ago

The new version 7.7.0 of the Munich-based SPR-KKR (spin-polarized relativistic Korringa-Kohn-Rostoker) program package is available now. The fully relativistic code based on the Dirac equation allows the investigation of many electronic and magnetic properties for various types of systems (ordered as well as disordered 3D-solids, half-infinite solids and 2D-films as well as clusters embedded in these type of host systems). The main field of application for the code is the study of the impact of spin-orbit coupling on the ground state (e.g. magnetic anisotropy or anisotropic exchange coupling), the linear response (e.g. transport or Gilbert damping) and electronic spectroscopy (e.g. XAS and PES). To request a free copy visit the web page The use of the SPR-KKR package is supported by the graphical user interface xband that can be downloaded from

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Ab initio (from electronic structure) calculation of complex processes in materials