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Erratum: “DFTB+, a software package for efficient approximate density functional theory based atomistic simulations” [J. Chem. Phys. 152, 124101 (2020)]

Hourahine, B. ; Aradi, B. ; Blum, V. ; Bonafé, F. ; Buccheri, A. ; Camacho, C. ; Cevallos, C. ; Deshaye, M. Y. ; Dumitrică, T. ; Dominguez, A. ; Ehlert, S. ; Elstner, M. ; van der Heide, T. ; Hermann, J. ; Irle, S. ; Jakowski, J. ; Kranz, J. J. ; Köhler, C. ; Kowalczyk, T. ; Kubař, T. ; Lee, I. S. ; Lutsker, V. ; Maurer, R. J. ; Min, S. K. ; Mitchell, I. ; Negre, C. ; Niehaus, T. A. ; Niklasson, A. M. N. ; Page, A. J. ; Pecchia, A. ; Penazzi, G. ; Persson, M. P. ; Řezáč, J. ; Sánchez, C. G. ; Sternberg, M. ; Stöhr, M. ; Stuckenberg, F. ; Tkatchenko, A. ; Yu, V. W.-z. ; Frauenheim, T.

The Journal of chemical physics, 2022-07, Vol.157 (3), p.039901-039901 [Periódico revisado por pares]

Melville: American Institute of Physics

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Título:
Erratum: “DFTB+, a software package for efficient approximate density functional theory based atomistic simulations” [J. Chem. Phys. 152, 124101 (2020)]
Autor: Hourahine, B. ; Aradi, B. ; Blum, V. ; Bonafé, F. ; Buccheri, A. ; Camacho, C. ; Cevallos, C. ; Deshaye, M. Y. ; Dumitrică, T. ; Dominguez, A. ; Ehlert, S. ; Elstner, M. ; van der Heide, T. ; Hermann, J. ; Irle, S. ; Jakowski, J. ; Kranz, J. J. ; Köhler, C. ; Kowalczyk, T. ; Kubař, T. ; Lee, I. S. ; Lutsker, V. ; Maurer, R. J. ; Min, S. K. ; Mitchell, I. ; Negre, C. ; Niehaus, T. A. ; Niklasson, A. M. N. ; Page, A. J. ; Pecchia, A. ; Penazzi, G. ; Persson, M. P. ; Řezáč, J. ; Sánchez, C. G. ; Sternberg, M. ; Stöhr, M. ; Stuckenberg, F. ; Tkatchenko, A. ; Yu, V. W.-z. ; Frauenheim, T.
Assuntos: ENGINEERING
É parte de: The Journal of chemical physics, 2022-07, Vol.157 (3), p.039901-039901
Notas: SourceType-Other Sources-1
content type line 63
ObjectType-Correction/Retraction-1
USDOE Office of Science (SC), Basic Energy Sciences (BES)
AC05-00OR22725
Descrição: 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 III C of the original publication,1 was developed based on a previous unpublished implementation by Jacek Jakowski.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
Editor: Melville: American Institute of Physics
Idioma: Inglês

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Erratum: “DFTB+, a software package for efficient approximate density functional theory based atomistic simulations” [J. Chem. Phys. 152, 124101 (2020)]

Melville: American Institute of Physics

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