DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
Hourahine, B., Aradi, B., Blum, V., Bonafe, F., Buccheri, A., Camacho, C., Cevallos, C., Deshaye, M. Y., Dumitric?, T., Dominguez, A., Ehlert, S., Elstner, M., van der Heide, T., Hermann, J., Irle, S., Kranz, J. J., Kohler, C., Kowalczyk, T., Kuba?, T., Lee, I. S., Lutsker, V., Maurer, R. J., Min, SK, Mitchell, I., Negre, C., Niehaus, T. A., Niklasson, A. M. N., Page, A. J., Pecchia, A., Penazzi, G., Persson, M. P., ?eza?, J., Sanchez, C. G., Sternberg, M., Stohr, M., Stuckenberg, F., Tkatchenko, A., Yu, V. W.-z., Frauenheim, T.
JOURNAL OF CHEMICAL PHYSICS, 202003