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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},
}