This repository consists of the numerical code for mixed-space cluster expansion for the following manuscript:
K. Wang, D. Cheng, B.-C. Zhou. Generalization of the mixed space cluster expansion method for arbitrary lattices. npj Computational Materials, Under review.

Please send any comments to Dr. Kang Wang (wangk0516@gmail.com) and Prof. Bi-Cheng Zhou (bicheng.zhou@virginia.edu).

The code is written in Python scripts and tested in Anaconda environment.
It will be updated in the future.