A. V. Yakutovich, K. Eimre, O. Schütt, L. Talirz, C. S. Adorf, C. W. Andersen, E. Ditler, D. Du, D. Passerone, B. Smit, N. Marzari, G. Pizzi, and C. A. Pignedoli

DOI:10.1016/j.commatsci.2020.110165
https://doi.org/10.1016/j.commatsci.2020.110165
https://www.sciencedirect.com/science/article/pii/S092702562030656X?via%3Dihub
Computational Materials Science 188, 110165 (2021)