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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Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list [email protected]
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