[Pw_forum] Question about postprocessing after the PBE0 calculation

Paolo Giannozzi giannozz at democritos.it
Wed Feb 18 15:21:41 CET 2009


Vladan Stevanovic wrote:

> Is the charge density, for example, that one reads with pp.x after 
> the PBE0 calculation is finished really the PBE0 density?

I don't see any reason why it should be anything different. Since
however hybrid functionals are still under development, carefully
check what you get

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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