[CP2K:5470] Pseudopotential for M06-L

[Christopher Knight]

Yes, those PP parameters were optimized with the M06-L functional.  For H and O, they're pretty similar to PP parameters for a handful of GGAs.

chris


On Jun 27, 2014, at 4:33 PM, August Melcher <august... at gmail.com> wrote:

Fantastic! Thanks a lot. So I take it that pseudopotential has already been optimized for M06-L?

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