[CP2K:5627] Pseudopotentials and DFT functionals
mpol
polynsk... at gmail.com
Thu Sep 4 10:52:40 UTC 2014
>
>
> 1) you can. However, I would only do it for "similar" functionals.
> The only problem you can run into, is a reduction of accuracy.
>
>
Does this also correspond to NLCC pseudopotentials? Can we use NLCC-PBE
pseudopotentials for computations with e.g. TPSS or PBE0 functionals?
Best regards,
MP
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