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 <[email protected]> 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 > > _______________________________________________ > > Quantum ESPRESSO is supported by MaX > > (www.max-centre.eu/quantum-espresso) > > users mailing list [email protected] > > https://lists.quantum-espresso.org/mailman/listinfo/users > >
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