DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (vol 152, 124101, 2020)
B. Hourahine,B. Aradi,V. Blum,F. Bonafe,A. Buccheri,C. Camacho,C. Cevallos,M. Y. Deshaye,T. Dumitrica,A. Dominguez,S. Ehlert,M. Elstner,T. van der Heide,J. Hermann,S. Irle,J. Jakowski,J. J. Kranz, C. Koehler,T. Kowalczyk,T. Kubar,I. S. Lee,V. Lutsker,R. J. Maurer,S. K. Min,I. Mitchell,C. Negre,T. A. Niehaus,A. M. N. Niklasson,A. J. Page,A. Pecchia,G. Penazzi,,J. Rezac,C. G. Sanchez, M. Sternberg,M. Stohr, F. Stuckenberg,A. Tkatchenko, V. W. -Z. Yu,T. Frauenheim JOURNAL OF CHEMICAL PHYSICS（2022）
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