ASE2SPRKKR is a Python package that lets ASE users drive SPR-KKR calculations, including CPA disorder, surfaces, ARPES, exchange couplings, and XAS, through a validated input/output interface.
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ASE2SPRKKR: a unified Python framework integrating the Spin-Polarized Relativistic Korringa-Kohn-Rostoker method into the Atomic Simulation Environment
ASE2SPRKKR is a Python package that lets ASE users drive SPR-KKR calculations, including CPA disorder, surfaces, ARPES, exchange couplings, and XAS, through a validated input/output interface.