[Wien] LDA+U

Peter Blaha peter.blaha at tuwien.ac.at
Fri Mar 31 19:14:48 CEST 2023


The term "LDA+U" has historic reasons.
Of course you can use GGAs (or mGGA) + U.

Am 31.03.2023 um 19:02 schrieb delamora:
> WIEN2k community,
> The Hubbard U is related in the Usersguide as LDA+U, does it mean that 
> it should be used with LDA and not with GGA?
> 
> I have always used the Hubbard U with GGA (PBE)
> 
> Pablo
> 
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