[Pw_forum] About HSE calculations

[Marcos Veríssimo Alves]

Ciao Paolo,

Thanks for the prompt answer and once again, sorry for asking something
that is frequently done. Even if the answer is not satisfactory (from your
point of view), it is already a guideline. Would you know (perhaps from
other people's calculations) if the results are too different if you use
the pseudo generated with the hybrid functional + hybrid functional for the
calculation for the system of interest, or the pseudo with the closest
functional + hybrid functional in the calculation for the system of
interest? This is a detail that I feel is frequently overlooked and not
specified in most of the hybrid functional calculations published I've
viewed so far.

Best regards,

Marcos

On Fri, Feb 8, 2013 at 12:55 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

> On Fri, 2013-02-08 at 12:31 -0200, Marcos Veríssimo Alves wrote:
>
> > Sorry if I am asking a question where the answer is already available
>
> since this is asked quite often, I just added an item to the FAQ:
>   http://www.quantum-espresso.org/?page_id=356#2.6
> Unfortunately the answer is not very satisfactory
>
> P.
>
> --
> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
>
>
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