Bonafé, F. Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
https://dx.doi.org/10.1063/1.5143190 (Verlagsversion)
https://doi.org/10.1063/5.0103026 (Ergänzendes Material)
1.5143190.pdf (Verlagsversion), 3MB
suppl.zip (Ergänzendes Material), 136KB
5.0103026.pdf (Ergänzendes Material), 3MB
Hourahine, B., Aradi, B., Blum, V., Bonafé, F., Buccheri, A., Camacho, C., et al. (2020). DFTB+, a software package for efficient approximate density functional theory based atomistic simulations. The Journal of Chemical Physics, 152(12): 124101. doi:10.1063/1.5143190.