DFTB+: Release 18.1

Benjamin Hourahine (Photographer), Bálint Aradi

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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.
Original languageEnglish
Place of PublicationSan Francisco, CA.
Edition18.1
Media of outputOnline
Size1.5MB
DOIs
Publication statusPublished - 1 Mar 2018

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Keywords

  • atomistic simulations

Cite this

Hourahine, B. (Photographer), & Aradi, B. (Author). (2018). DFTB+: Release 18.1. Software, San Francisco, CA.: . https://doi.org/10.5281/zenodo.1186900