[Pw_forum] DFT+U calculations

[Giuseppe Mattioli]

Dear Eleftheria
Definitely yes, and since many years! This is likely the main reason  
for the name update from LDA+U to DFT+U, AFAIK.
HTH
Giuseppe

Quoting Eleftheria Gkogkosi <elefthe at mail.ntua.gr>:

> Hello,
>
> Is DFT+U (formerly known as LDA+U) now expanded to apply to GGA
> pseudopotentials?
> I have tried this flag with PBE functionals and it helps convergence.
> But is this combination acceptable?
>
> --
> Eleftheria Gkogkosi
>
> Applied Mathematics & Physics Dept.
> National Technical University of Athens
> http://users.ntua.gr/elefthe
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GIUSEPPE MATTIOLI
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
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