Difference between revisions of "WIEN2k"
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{{software info | {{software info | ||
| − | |description= | + | |description=density functional theory software package |
| − | |license= | + | |license=requires license |
| − | |fields= | + | |fields=Computational materials science; Computational chemistry |
}} | }} | ||
| − | [http:// | + | [http://www.wien2k.at {{PAGENAME}}] is a {{#show: {{PAGENAME}} |?description}}, which is motivated by this dependent clause. |
== Availability == | == Availability == | ||
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== License == | == License == | ||
{{show license}} | {{show license}} | ||
| + | A valid license is required to run {{PAGENAME}}, for details see http://www.wien2k.at/order/index.html . | ||
| − | |||
== Experts == | == Experts == | ||
Revision as of 21:26, 8 October 2011
WIEN2k is a 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. A valid license is required to run WIEN2k, for details see http://www.wien2k.at/order/index.html .
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 |
