[QE-users] turbo_davidson/turbo_lanczos and hybrids, periodic systems

[Michal Krompiec]

Dear Oscar,
Thank you. So I guess for optical properties of periodic systems, there are
only two options: epsilon.x or “going hardcore” with GW and BSE.

Regards,
Michal


On Tue, Apr 7, 2020 at 14:58 Oscar Baseggio <obaseggi at sissa.it> wrote:

> Dear Michal,
>
> turbo_lanczos is limited for gamma calculation, so you can't use this
> for periodic ssystems.
> Only turbo_eels.x works with periodic systems.
>
> best regards,
>
> Oscar Baseggio
>
>
>
>
> Il 2020-04-07 15:54 Michal Krompiec ha scritto:
> > Hello,
> > Is it possible to calculate optical properties of periodic solids with
> > TDDFpT using hybrid functionals? The documentation of d0psi_rs option
> > of turbo_lanczos seems to say "no", could someone confirm this?
> > Thanks,
> > Michal Krompiec
> > Merck KGaA
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