Difference between revisions of "WIEN2k"
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== Links == | == Links == | ||
* [http://www.wien2k.at Main web page]. Official website | * [http://www.wien2k.at Main web page]. Official website | ||
| − | * [http://www.wien2k.at/reg_user/mailing_list {{PAGENAME}} Mailing list]. The mailing list contains many years of useful information about running {{PAGENAME}}, with answers to | + | * [http://www.wien2k.at/reg_user/mailing_list {{PAGENAME}} Mailing list]. The mailing list contains many years of useful information about running {{PAGENAME}}, with answers to questions ranging from beginner to highly advanced users. For the latest news, bug reports etc., check this list. |
* [http://www.wien2k.at/reg_user/textbooks/usersguide.pdf Manual]. Before starting with {{PAGENAME}}, make sure to check the examples in this user friendly manual. | * [http://www.wien2k.at/reg_user/textbooks/usersguide.pdf Manual]. Before starting with {{PAGENAME}}, make sure to check the examples in this user friendly manual. | ||
Revision as of 21:43, 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 many years of useful information about running WIEN2k, with answers to questions ranging from beginner to highly advanced users. For the latest news, bug reports etc., check this list.
- Manual. Before starting with WIEN2k, make sure to check the examples in this user friendly manual.
