[DFTB-Plus-User] NEGF+XTB
luca.sementa at pi.ipcf.cnr.it
luca.sementa at pi.ipcf.cnr.it
Tue Apr 12 11:59:28 CEST 2022
Der Sebastian
thank you for your answer. How can I download the branch you are talking
about?
Best Regards.
Luca
-------------------
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
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