Difference between revisions of "WIEN2k"
| Line 23: | Line 23: | ||
== 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 | + | * [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 all levels of user questions. |
| − | * [http://www.wien2k.at/reg_user/textbooks/usersguide.pdf]. Before starting with {{PAGENAME}}, make sure to | + | * [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 21:40, 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 all levels of user questions.
- Manual. Before starting with WIEN2k, make sure to check the examples in this user friendly manual.
