Prof. Blaha,
Thank you for your quick answer
Pablo
De: Wien en nombre de Peter Blaha
Enviado: viernes, 31 de marzo de 2023 11:14 a. m.
Para: wien@zeus.theochem.tuwien.ac.at
Asunto: Re: [Wien] LDA+U
The term "LDA+U" has historic reasons.
Of course you can use
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
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
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
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?
Pablo
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
4 matches
Mail list logo