collaborators

1 paper

cond-mat.mtrl-sci2026

ASE2SPRKKR: a unified Python framework integrating the Spin-Polarized Relativistic Korringa-Kohn-Rostoker method into the Atomic Simulation Environment

Ridha Eddhib, Matyáš Novák, Hubert Ebert +2

The Spin-Polarized Relativistic Korringa-Kohn-Rostoker (SPR-KKR) is an all-electron ab-initio multiple-scattering code that provides unique capabilities for treating chemical disor…