DFTB+: Release 18.1

Benjamin Hourahine (Photographer), Bálint Aradi

Research output: Non-textual formSoftware

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.
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
Hourahine, Benjamin (Photographer) ; Aradi, Bálint (Author). / DFTB+ : Release 18.1. [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.",
keywords = "atomistic simulations",
author = "Benjamin Hourahine and B{\'a}lint Aradi",
note = "Version 18.1.",
year = "2018",
month = "3",
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doi = "10.5281/zenodo.1186900",
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Hourahine, B & Aradi, B, DFTB+: Release 18.1, 2018, Software, San Francisco, CA.. https://doi.org/10.5281/zenodo.1186900
DFTB+ : Release 18.1. Hourahine, Benjamin (Photographer); Aradi, Bálint (Author). 2018. San Francisco, CA.

Research output: Non-textual formSoftware

TY - ADVS

T1 - DFTB+

T2 - Release 18.1

AU - Aradi, Bálint

A2 - Hourahine, Benjamin

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N2 - 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.

AB - 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.

KW - atomistic simulations

U2 - 10.5281/zenodo.1186900

DO - 10.5281/zenodo.1186900

M3 - Software

CY - San Francisco, CA.

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