关于能带反折叠程序KPROJ
功能：掺杂体系（块体、低维体系）及异质结界面的反折叠能带
特色：任意区域空间内波函数的能带反折叠（应用场景：异质结界面、表面及其真空中波函数的权重）
接口：VASP、Quantum Espresso、ABINIT、ABACUS、DeepH、PHONOPY
下载：https://github.com/mxchen-2020/kproj
Suggested citation like "Band unfolding was performed by using the KPROJ program [1], which is based on the k-projection method [2]. "
1. J. Chen, M. Weinert, and M. Chen, KPROJ: a program for unfolding electronic and phononic bands, Comput. Phys. Commun. 312, 109614 (2025).Link
2. M. Chen, M. Weinert, Layer k-projection and unfolding electronic bands at interfaces, Phys. Rev. B 98, 245421 (2018) . Link
部分其他相关文献：
1. M. Chen, M. Weinert, Revealing the substrate origin of the linear dispersion of Silicene/Ag(111), Nano Lett. 14, 5189 (2014). Link
2. 陈家鑫，陈明星, 能带反折叠方法研究进展, 物理学进展 43, 25 (2023). Link
3. Shivani Rajput, M. X. Chen, Ying Liu, Y. Y. Li, Michael Weinert, Lian Li*, Spatial fluctuations in barrier height at the graphene–silicon carbide Schottky junction, Nat. Commun. 4, 2752 (2013). Link
用户反馈：chenjiaxin@hunnu.edu.cn（陈家鑫）, mxchen@hunnu.edu.cn（陈明星）
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