Difference between revisions of "WIEN2k"
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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 . | A valid license is required to run {{PAGENAME}}, for details see http://www.wien2k.at/order/index.html . | ||
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== Links == | == Links == | ||
| − | * [http:// | + | * [http://www.wien2k.at Main web page]. Official website |
| − | * [http:// | + | * [http://www.wien2k.at/reg_user/mailing_list {{PAGENAME}} Mailing list]. The mailing list contains lots of very useful information about running {{PAGENAME}}. |
| − | * [http:// | + | * [http://www.wien2k.at/reg_user/textbooks/usersguide.pdf]. Before starting with {{PAGENAME}}, make sure to read its nice manual (link to the pdf). |
Revision as of 21:35, 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 |
Links
- Main web page. Official website
- WIEN2k Mailing list. The mailing list contains lots of very useful information about running WIEN2k.
- [1]. Before starting with WIEN2k, make sure to read its nice manual (link to the pdf).
