Forklibtetrabz python package
| 修訂. | 時間 | 作者 | 訊息 RSS |
| cc1bb062 | 2021-11-17 12:25:56 |  Mitsuaki Kawamura | Add information of tutorial notebook and manual into readme |
| ba17cd8b | 2021-11-10 02:00:31 | Mitsuaki Kawamura | Add tutorial, manual, docstring |
| 3f277aab | 2021-11-07 20:25:36 | Mitsuaki Kawamura | Backup |
| 9ea7b072 | 2021-11-05 00:49:52 | Mitsuaki Kawamura | Add test which is the same as the fortran ver. |
| 8cae3093 | 2021-11-02 01:34:28 | Mitsuaki Kawamura | Bug fix |
| 0fcf47ce | 2021-10-22 01:55:50 | Mitsuaki Kawamura | Port remaining functions |
| ed6f285a | 2021-10-20 22:48:50 | Mitsuaki Kawamura | Initial commit DOS, Occupation, static polarizability |
Libtetrabz is a library which perform efficiently the Brillouin-zone integration in the electronic structure calculation in a solid by using the tetrahedron method.
To experience libtetrabz, please open the following python notebook with jupyter, Google colab, etc.
https://libtetrabz.osdn.jp/python/libtetrabz_tutorial.ipynb
https://libtetrabz.osdn.jp/python/
We would appreciate if you cite the following article in your research with libtetrabz.
"Improved tetrahedron method for the Brillouin-zone integration applicable to response functions",
M. Kawamura, Y. Gohda, and S. Tsuneyuki, Phys. Rev. B 89, 094515 (2014).
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.89.094515
https://osdn.net/projects/libtetrabz/scm/git/python/
Welcome to OSDN Wiki system. Here is your chamber Wiki space.
Check Wiki Guide (English) to refer syntax and functions.
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