HPC Module: Wannier90
Synopsis
Wannier90 is an open-source code (released under GPLv2) for generating maximally-localized Wannier functions and using them to compute advanced electronic properties of materials with high efficiency and accuracy.
| About This Software | |
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| Official Site | http://www.wannier.org |
| Tags |
Installed Versions
| Version | Install Date | Default? |
|---|---|---|
| 3.1.0 | 2021-11-15 |
Description
Wannier90 is an open-source code (released under GPLv2) for generating maximally-localized Wannier functions and using them to compute advanced electronic properties of materials with high efficiency and accuracy.
The development of Wannier90 is managed on the Wannier developers GitHub site where you will find details of on-going developments. Continuous integration of the code is provided by Travis CI. In addition, a test farm hosted at Cineca runs regular tests on the develop branch of the code with a wide range of compilers. If you are interested in contributing to Wannier90, please see here for more information.
Many electronic structure codes have an interface to Wannier90, including Quantum ESPRESSO, Abinit, VASP, Siesta, Wien2k, Fleur, OpenMX and GPAW; and there are several post-processing codes that are able to use the output of Wannier90 for further analysis and calculation.
Citation(s)
If you use Wannier90 in your research, please cite: Wannier90 as a community code: new features and applications G. Pizzi, V. Vitale, R. Arita, S. Blügel, F. Freimuth, G. Géranton, M. Gibertini, D. Gresch, C. Johnson, T.Koretsune, J. Ibañez-Azpiroz, H. Lee, J. M. Lihm, D. Marchand, A. Marrazzo, Y. Mokrousov, J. I. Mustafa, Y. Nohara, Y. Nomura, L. Paulatto, S. Poncé, T. Ponweiser, J. Qiao, F. Thöle, S. S. Tsirkin, M. Wierzbowska, N. Marzari, D. Vanderbilt, I. Souza, A. A. Mostofi, and J. R. Yates, J. Phys. Cond. Matt. 32, 165902 (2020) [ONLINE JOURNAL, OPEN ACCESS]
Category
| Library | Programming | Software | SysAdmin |
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