%0 Generic
%A Baumeister, Paul F.
%T Linear-Scaling Green Function DFT Calculations using KKRnano - A hands-on workshop
%M FZJ-2025-05524
%D 2025
%X This lecture is an introduction to linear-scaling density functional theory (DFT) calculations in the framework of the Korringa-Kohn-Rostoker (KKR) multiple scattering method.We specifically focus onto the Green's function DFT implementation KKRnano.This includes aspects like field of application, representation of physical quantities, range-based truncation, parallelization in distributed memory and GPU acceleration.The slides are useful for an introductory talk before teaching the basic handling of KKRnano.
%B KKRnano hands-on workshop
%C 29 Jul 2025 - 30 Jul 2025, Jülich (Germany)
Y2 29 Jul 2025 - 30 Jul 2025
M2 Jülich, Germany
%F PUB:(DE-HGF)17
%9 Lecture
%U https://juser.fz-juelich.de/record/1049740