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Bandup能带unfolding程序

已有 6948 次阅读 2017-8-8 18:40 |个人分类:软件学习|系统分类:科研笔记| 能带反折叠

Overview

BandUP is a code that allows you to obtain a primitive cell representation of the band structure of systems simulated using supercells. The unfolding of the bands is performed as described in the following papers:

Paulo V. C. Medeiros, Sven Stafström and Jonas Björk, Phys. Rev. B 89, 041407(R) (2014)

Paulo V. C. Medeiros, Stepan S. Tsirkin, Sven Stafström and Jonas Björk, Phys. Rev. B 91, 041116(R) (2015)


https://github.com/band-unfolding/bandup

http://www.ifm.liu.se/theomod/compphys/band-unfolding/




https://blog.sciencenet.cn/blog-685489-1070201.html

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