[Pw_forum] GWW+U

[Gabriele Sclauzero]

kazempoor at ph.iut.ac.ir wrote:
> Dear all I want to do GW at GGA+U, But as far as I know the authers said that the phonon
> calculation with U has not been implemented yet? is it implemented right now  or not
> yet? 

DFPT+U is not implemented in QE and I'w not aware of any plan to do it. Moreover, I think 
that the DFT+U theory has not yet been extended to DFPT.

Anyway, why would you apply GW to DFT+U? People who uses GW corrections usually believe 
that these are more precise than +U corrections.

GS


thanks a lot Ali Kazempour Physics Department, Isfahan University of Technology
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