TY  - GEN
AU  - Baumeister, Paul F.
TI  - Linear-Scaling Green Function DFT Calculations using KKRnano - A hands-on workshop
M1  - FZJ-2025-05524
PY  - 2025
AB  - 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.
T2  - KKRnano hands-on workshop
CY  - 29 Jul 2025 - 30 Jul 2025, Jülich (Germany)
Y2  - 29 Jul 2025 - 30 Jul 2025
M2  - Jülich, Germany
LB  - PUB:(DE-HGF)17
UR  - https://juser.fz-juelich.de/record/1049740
ER  -