Erratum: DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (Journal of Chemical Physics (2020) 152 (124101) DOI: 10.1063/1.5143190)

B. Hourahine, B. Aradi, V. Blum, F. Bonafé, 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. Köhler, T. Kowalczyk, T. KubařI. 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, M. P. Persson, J. Rezáč, C. G. Sánchez, M. Sternberg, M. Stöhr, F. Stuckenberg, A. Tkatchenko, V. W.Z. Yu, T. Frauenheim

Research output: Contribution to journalComment/debate

2 Scopus citations

Abstract

The implementation of the GPU support in DFTB+, as described in Sec. III C of the original publication,1 was developed based on a previous unpublished implementation by Jacek Jakowski. In order to acknowledge his work on this first implementation, the authors of the original publication wish to include J. Jakowski as co-author. The scientific content of the original publication is not affected.

Original languageEnglish
Article number039901
JournalJournal of Chemical Physics
Volume157
Issue number3
DOIs
StatePublished - Jul 21 2022

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