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@MISC{Baumeister:1049740,
author = {Baumeister, Paul F.},
title = {{L}inear-{S}caling {G}reen {F}unction {DFT} {C}alculations
using {KKR}nano - {A} hands-on workshop},
reportid = {FZJ-2025-05524},
year = {2025},
abstract = {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.},
month = {Jul},
date = {2025-07-29},
organization = {KKRnano hands-on workshop, Jülich
(Germany), 29 Jul 2025 - 30 Jul 2025},
subtyp = {Plenary/Keynote},
cin = {JSC / IAS-1},
cid = {I:(DE-Juel1)JSC-20090406 / I:(DE-Juel1)IAS-1-20090406},
pnm = {5111 - Domain-Specific Simulation $\&$ Data Life Cycle Labs
(SDLs) and Research Groups (POF4-511)},
pid = {G:(DE-HGF)POF4-5111},
typ = {PUB:(DE-HGF)17},
url = {https://juser.fz-juelich.de/record/1049740},
}