[QE-users] Restart in hibrid calculations

[Paolo Giannozzi]

On Thu, May 9, 2019 at 7:46 PM Lucas Nicolás Lodeiro Moraga <
lucas.lodeiro at ug.uchile.cl> wrote:


> when the calculation is finished the Vx fock could be written just like
> the density.
>

no it cannot: Vx is nonlocal. It would be possible to start a new hybrid
calculation from a previously completed one, without the initial GGA step,
but this is not currently implemented

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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