[Pw_forum] Assigning Hubbard potential to f orbitals
Matteo Cococcioni
matteo at umn.edu
Mon Oct 24 10:02:39 CEST 2016
Dear Mohammed,
you may find the tutorial on DFT+U contained in this page useful:
http://www.iiserpune.ac.in/~smr2626/talks-presentations.html
Best,
Matteo
On Sun, Oct 23, 2016 at 8:25 AM, Mohammed Khalafalla <mahk74 at gmail.com>
wrote:
> Dear all,
> Please kindly let me know how to Assign Hubbard potential to f orbital in
> LDA+U calculation using quantum espresso.
> Regards,
> Mohammed Khalafalla
> Taibah University
>
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