[Pw_forum] "scf" calculation with "PBE0" hybrid functional

[Paolo Giannozzi]

On Tue, Aug 9, 2016 at 12:04 PM, Narendranath Ghosh
<ghosh.naren13 at gmail.com> wrote:

>      EXX: now go back to refine exchange calculation

is this the first time this message appears? if so, nothing strange:
when the code turns exact exchange on, the amount of required time
grows enormously. It is possible to perform hybrid calculations in
systems containing up to a few hundreds atoms, but it is hard and you
have to know a number of tricks. The next version of QE will perform
better.

Paolo

>
> Please suggest any idea.......
>
> Narendra Nath Ghosh
>
> Research Associate
>
> University of Gour Banga
>
> Department of Computational Physics
>
> Malda-732102
>
> India
>
>
>
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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