Difference between revisions of "Elk"
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{{software info | {{software info | ||
| − | |description=all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features | + | |description=all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features |
|license=free | |license=free | ||
|fields=Computational materials science; Computational chemistry | |fields=Computational materials science; Computational chemistry | ||
Latest revision as of 12:25, 14 October 2011
Elk is an all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features.
Contents
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 |
License
License: Free.
Experts
These experts have registered specific competence on this subject:
| Field | AE FTE | General activities | ||
|---|---|---|---|---|
| Diana Iusan (UPPMAX) | UPPMAX | Computational materials science Performance tuning | 50 | Compilation, performance optimization, and best practice usage of electronic structure codes. |
| Weine Olovsson (NSC) | NSC | Computational materials science | 90 | Application support, installation and help |
Links
- Main web page. The official website, here all information about Elk can be found.
- Documentation. Here are links to Elk documentation.
- Discussion forums. In the discussion forums you can ask questions about the code.
