WIEN2k
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WIEN2k (abbreviation explained) is a software package for DFT program package based on the full-potential (linearized) augmented plane wave + local orbitals method, which is motivated by this dependent clause.
Availability
| Resource | Centre | Description |
|---|---|---|
| Kappa | NSC | throughput cluster resource of 26 TFLOPS |
| Matter | NSC | cluster resource of 37 TFLOPS dedicated to materials science |
| Triolith | NSC | Capability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree |
Tips and tricks
Describe general tips and tricks for using the software here, eg. compilation trickery, general workflow design to get better performance...
License
License: Requires license.
Any further license particularities (such as site licenses) are succinctly described here.
Experts
These experts have registered specific competence on this subject:
| Field | AE FTE | General activities | ||
|---|---|---|---|---|
| Weine Olovsson (NSC) | NSC | Computational materials science | 90 | Application support, installation and help |
