juKKR
Description
The Korringa-Kohn-Rostoker (KKR) Greens function method is a highly accurate all-electron method to perform density functional theory calculations. The most important features of the Juelich KKR codes include the possibility to perform relativistic calculations, predict scattering effects, and treat finite-sized clusters or very large systems.
More information
- Homepage: https://iffgit.fz-juelich.de/kkr/jukkr/
Available Versions of juKKR
Version | Module | Available on |
|---|---|---|
3.6-foss-2024a | chem/juKKR/3.6-foss-2024a | Noctua 2 |
This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.
Usage Hints for juKKR
If you need support in using this software or example job scripts please click pc2-support@uni-paderborn.de.