Difference between revisions of "Exciting-code"
| (5 intermediate revisions by the same user not shown) | |||
| Line 1: | Line 1: | ||
{{software info | {{software info | ||
| − | |description=DFT | + | |description=full-potential all-electron density-functional-theory (DFT) package based on the linearized augmented plane-wave (LAPW) method |
|license=free | |license=free | ||
|fields=Computational materials science; Computational chemistry | |fields=Computational materials science; Computational chemistry | ||
}} | }} | ||
| − | [http://exciting-code.org {{PAGENAME}}] is a {{#show: {{PAGENAME}} |?description}}. | + | The [http://exciting-code.org {{PAGENAME}}] is a {{#show: {{PAGENAME}} |?description}}. |
== Availability == | == Availability == | ||
| Line 10: | Line 10: | ||
== Tips and tricks == | == Tips and tricks == | ||
| − | {{PAGENAME}} uses XML input and output. | + | The {{PAGENAME}} uses XML input and output. For compiling the code check compatibility at http://exciting-code.org/supported-platforms . |
== License == | == License == | ||
| Line 22: | Line 22: | ||
* [http://exciting-code.org Main web page]. The official website, here all information about {{PAGENAME}} can be found. | * [http://exciting-code.org Main web page]. The official website, here all information about {{PAGENAME}} can be found. | ||
* [http://exciting-code.org/input-reference Input reference]. Explains the parameters in the input file. | * [http://exciting-code.org/input-reference Input reference]. Explains the parameters in the input file. | ||
| − | * [http://exciting-code.org/forum:start | + | * [http://exciting-code.org/forum:start Forums]. Discussion forums, here you can ask questions about the code. |
Latest revision as of 11:28, 11 October 2011
The Exciting-code is a full-potential all-electron density-functional-theory (DFT) package based on the linearized augmented plane-wave (LAPW) method.
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
The Exciting-code uses XML input and output. For compiling the code check compatibility at http://exciting-code.org/supported-platforms .
License
License: Free.
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 |
Links
- Main web page. The official website, here all information about Exciting-code can be found.
- Input reference. Explains the parameters in the input file.
- Forums. Discussion forums, here you can ask questions about the code.
