DFTB+ : Release 18.1

Hourahine, Benjamin and Aradi, Bálint (2018) DFTB+ : Release 18.1. GitHub.

[img] Archive (dftbplus-18.1)
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.