[DFTB-Plus-User] NEGF+XTB

[Sebastian Ehlert]

Dear Luca,

coincidentally I just started working on enabling the NEGF module with
xTB this week [1].

[1]: https://github.com/dftbplus/dftbplus/pull/1000

Maybe we can make it part of the 22.1 release, depending on how quickly
I can hammer out all the remaining quirks. If you feel adventurous, you
can give this branch a try as it seems to be more or less functional
already (expect rough edges).

All the best
Sebastian


On Fri, 2022-04-08 at 13:41 +0200, luca.sementa at pi.ipcf.cnr.it wrote:
> Dear Developers
> Have you planned to release a DFTB+ version for running NEGF 
> calculations at XTB level? If Yes, is there already a date?
> 
> Best Regards.
> Luca
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