[Pw_forum] sc effective pot in atomic code

[Lorenzo Paulatto]

On 21/08/17 06:50, Mahmoud Payami Shabestari wrote:
> a) for HSE and PBE inputs they generate the same potentials and ae orbitals

Dear Mahmoud,
I'm relatively sure that exact-exchange and hybrid functionals are not 
implemented in the atomic code (it would be nice if someone implemented 
them). I'm not sure what you get when setting HSE as functional, 
probably just PBE.

kind regards


-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
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