[QE-users] cRPA - how to get Hubbard U and Hund's J

[Christoph Wolf]

Dear all,

I know how to calculate Hubbard U from the linear response mechanism but I
found that this is apparently not feasible for J;

"However, this calculation has not been actually attempted yet and it is
impossible to comment on its reliability" (
https://www.cond-mat.de/events/correl12/manuscripts/cococcioni.pdf)

I was curious if there is any other way to get U and J, I know some codes
have implemented schemes in the constrained RPA way but how could one get
this from QE?

Thanks in advance for your help!

Best,
Chris

-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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