[Pw_forum] VC-relax with HSE

[Paolo Giannozzi]

On Sat, Jan 20, 2018 at 11:10 AM, David Foster <davidfoster751 at yahoo.com>
wrote:


>  1- Is it possible to use hybrid method (such as HSE) for VC-Relax
> calculation?
>

maybe, but it has never been tested. Currently there is a check that
disables vc-relax with hyvbrid functionals.


> 2- Which pseudopotential is suitable for HSE (I think PBE pseudo is good)?
>

the one done with the most similar GGA functional. PBE should be ok

Paolo
-- 
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
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