[QE-users] Hubbard Correction

[Matteo Cococcioni]

Dear Fariba,
you need also inter-site interactions.

J. Phys.: Condens. Matter 22 (2010) 055602

The current implementation does not have this feature but DFT+U+V will be
in the code in the near future.



Il giorno dom 29 mar 2020 alle ore 08:52 Fariba Islam <ezqhaz at gmail.com> ha
scritto:

> Dear everyone,
> Can I use Hubbard correction to find the correct bandgap of Silicon?
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 
Matteo Cococcioni
Department of Physics
University of Pavia
Via Bassi 6, I-27100 Pavia, Italy
tel +39-0382-987485, fax +39-0382-987752
e-mail matteo.cococcioni at unipv.it <lucio.andreani at unipv.it>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200330/6ff14e29/attachment.html>