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

[Oscar Baseggio]

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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