[DFTB+ Announce] DFTB+ 20.2 released
Bálint Aradi
aradi at uni-bremen.de
Wed Nov 18 11:13:38 CET 2020
Dear DFTB+ community,
We are pleased to announce the next stable version (Release 20.2).
Thanks to the work of those contributing to the code, this version again
contains several major improvements. These include
* Many body and Tkatchenko-Scheffler dispersion models
* Delta DFTB for the lowest singlet excitated state of closed shell systems
* Electron transport for system with (colinear) spin polarisation, plus
Green's function embedding for the surfaces of magnetic systems
* A new code for phonon transport calculations
* Linear response excited state forces for spin polarised systems
* The FIRE geometry optimiser and improvements to the LBFGS optimiser
For further details and to download, please visit the release page:
http://www.dftbplus.org/download/dftb-stable/
We would like to thank you for all your feedback and contributions
which shaped this release. We hope you will find DFTB+ 20.2 useful
for your scientific work and are looking forward to further comments,
suggestions and contributions in the future.
The DFTB+ developers
Ps. Please also look out for news about the upcoming release of our
Slater-Koster generation tools in the next weeks.
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