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 > -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
