[DFTB-Plus-User] vg-RTTDDFTB

[Bálint Aradi]

Dear Luca,

for sure you can do calculate electron dynamics in periodic systems with 
DFTB+.

It might be not the same implementation as in the paper. The authors 
claim to have implemented it in the open source DFTB+ package, but as 
they never contributed any changes they made, whatever they did (and 
wherever it might be available), is not part of the official DFTB+ code.

Best regards,

Bálint


On 20.02.24 09:39, luca.sementa at pi.ipcf.cnr.it wrote:
> Dear DFTB Developers
> 
> is there a DFTB release for simulating the electron dynamics in periodic 
> systems like a 16x16x16 K-point mesh c-Si in 
> doi.org/10.1021/acs.jctc.3c00689?
> 
> Best Regards.
> 
> Luca
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-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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