[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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> Pw_forum at pwscf.org
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>
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