[Pw_forum] GWW+U

Matteo Cococcioni matteo at umn.edu
Mon Apr 26 15:40:46 CEST 2010


DFPT+U is actually almost ready. hopefully it will be ported to the cvs 
version during the summer or in the fall
(we need some more time to test the code and finilize it).

regards,

Matteo



Gabriele Sclauzero wrote:
> 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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>
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