BoltzTraP2程序已经发布！！
https://www.imc.tuwien.ac.at/for ... emistry/boltztrap2/
BoltzTraP2 is a modern implementation of the smoothed Fourier interpolation algorithm for electronic bands that formed the base of the original and widely used BoltzTraP code. One of the most typical uses of BoltzTraP is the calculation of thermoelectric transport coefficients as functions of temperature and chemical potential in the rigid-band picture. However, many other features are available, including 3D plots of Fermi surfaces based on the reconstructed bands.
返回小木虫查看更多
今日热帖
京公网安备 11010802022153号
你好请问这个可以考虑自旋极化吗
看文章
，
正在学习如何安装。似乎安装非常麻烦。
有安装成功的么？分享一下经验啊。