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 III C of the original publication,1 was developed based on a previous unpublished implementation by Jacek Jakowski.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.
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)
Pecchia A.Writing – Review & Editing
;
2022
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 III C of the original publication,1 was developed based on a previous unpublished implementation by Jacek Jakowski.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.File in questo prodotto:
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