[CP2K-user] [CP2K:21592] Suspect CAM-B3LYP NMR Shieldings with GAPW + Linear Response

[Konstantin Tokarev]

Hybrid functionals are not supported for NMR chemical shift calculations. 


Hi,

Do you have any suggestions what needs to be fixed (or implemented from 
scratch) in CP2K code to make NMR with hybrids possible?

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