[QE-users] TB-mBJ

[Lorenzo Monacelli]

Yes,

but you have to compile espresso linking manually the libxc library

Then just specify "tb09" in the input_dft parameter inside the &system 
namelist of the input file (in a Plane Wave calculation)

Bests,

Lorenzo

On 07/05/20 14:26, Sohail Ahmad wrote:
> Dear QE users,
> I wish to know if TB-mBJ implementation is available in QE or not
> Best Wishes
>
>
> *Dr. Sohail Ahmad*
>
> Assistant Professor
>
> Department of Physics
>
> Faculty of Science, P. O. Box - 9004
>
> King Khalid University
>
> Abha, Saudi Arabia
>
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>
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