DFTB+: Release 18.1

Benjamin Hourahine; Bálint Aradi

doi:10.5281/zenodo.1186900

DFTB+: Release 18.1

Benjamin Hourahine (Photographer), Bálint Aradi

Research output: Digital or non-textual outputs › Software

14 Downloads (Pure)

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 language	English
Place of Publication	San Francisco, CA.
Edition	18.1
Media of output	Online
Size	1.5MB
DOIs	https://doi.org/10.5281/zenodo.1186900
Publication status	Published - 1 Mar 2018

Keywords

atomistic simulations

Access to Document

10.5281/zenodo.1186900Licence: GNU LGPL 3

dftbplus-18.1Final published version, 1.46 MBLicence: GNU LGPL 3

Cite this

@misc{4698806dad414f5385bb7028ce4a6a0f,

title = "DFTB+: Release 18.1",

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 = mar,

day = "1",

doi = "10.5281/zenodo.1186900",

language = "English",

edition = "18.1",

}

TY - ADVS

T1 - DFTB+

T2 - Release 18.1

AU - Aradi, Bálint

A2 - Hourahine, Benjamin

N1 - Version 18.1.

PY - 2018/3/1

Y1 - 2018/3/1

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.

ER -

DFTB+: Release 18.1

Abstract

Keywords

Access to Document

Fingerprint

Cite this