[QE-users] LDA+U+V functional in PWSCF

[Paolo Giannozzi]

DFT+U+V is currently not present in either stable or development QE
versions. Its porting is one of the many things in the TODO list but it is
not that simple. Please inquire with to Prof. Cococcioni.

Paolo

On Sun, Aug 4, 2019 at 11:07 AM Christoph Wolf <wolf.christoph at qns.science>
wrote:

> Dear all,
>
> after reading the works of Prof. Cococcioni regarding the "on-site" U and
> "inter-site" V correction to DFT I was wondering if this was actually
> implemented in PWSCF and is undocumented or if this was never implemented
> in the public version?
>
> Any pointers in the right direction are very welcome!
>
> Best,
> Chris
>
> --
> Postdoctoral Researcher
> Center for Quantum Nanoscience, Institute for Basic Science
> Ewha Womans University, Seoul, South Korea
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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