DFTB+ : Release 18.1

Hourahine, Benjamin and Aradi, Bálint (2018) DFTB+ : Release 18.1. GitHub, San Francisco, CA.. (https://doi.org/10.5281/zenodo.1186900)

[thumbnail of dftbplus-18.1] Archive. Filename: dftbplus_18.1.zip
Final Published Version
License: GNU Lesser General Public License v3 (Software)
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Abstract

Release 18.1 contains several new features and improvements. Most notably the code has been MPI-parallelised, enabling you to now also model large systems efficiently with DFTB+ on massively parallel systems and compute clusters. We hope you will continue to find DFTB+ useful for your scientific research. As always we are looking forward to your feedback, suggestions and contributions.

ORCID iDs

Hourahine, Benjamin ORCID logoORCID: https://orcid.org/0000-0002-7667-7101 and Aradi, Bálint;
CORE (COnnecting REpositories)