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 > >> _______________________________________________ Pw_forum mailing list >> Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum >> >> > >
