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libtetrabz python package


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修訂. 時間 作者 訊息
5ce1d1d 2022-03-31 15:54:18 Mitsuaki Kawamura master Forgot to add C source
8f8c819 2022-03-31 13:39:58 Mitsuaki Kawamura Update tutorial
e929f25 2022-03-24 20:54:49 Mitsuaki Kawamura These files are integrated into libtetrabz.c
6395f02 2022-03-24 20:49:10 Mitsuaki Kawamura wrapper C-python code
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704a16e 2022-03-18 14:13:50 Mitsuaki Kawamura Backup. It orks fine.
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master 5ce1d1d 2022-03-31 15:54:18 Mitsuaki Kawamura Forgot to add C source

README.md

libtetrabz

Libtetrabz is a library which perform efficiently the Brillouin-zone integration in the electronic structure calculation in a solid by using the tetrahedron method.

Quick start guide

To experience libtetrabz, please open the following python notebook with jupyter, Google colab, etc.

https://libtetrabz.osdn.jp/python/libtetrabz_tutorial.ipynb

Manual

https://libtetrabz.osdn.jp/python/

For citing libtetrabz

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

Git repository

https://osdn.net/projects/libtetrabz/scm/git/python/

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