[DFTB-Plus-User] is it possible to use DFTB+ for TDDFTB calculations

Bálint Aradi aradi at uni-bremen.de
Tue Feb 17 11:23:04 CET 2015


Dear Gao,

> I wonder if I could use DFTB+ 1.2.2 for time-dependent DFTB
> calculations? If possible, may I ask what keywords should I use? Thank
> you very much.

We are still fixing some issues on the TD-DFTB+, so it has not been
officially released yet. Based on your project, it could be eventually
obtained from Thomas Niehaus at University Regensburg (the person behind
the TD-DFTB+ development) as part of a colaboration.

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 819 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20150217/fe54d6e1/attachment.sig>


More information about the DFTB-Plus-User mailing list