[CP2K-user] [CP2K:21543] NMR calculations with hybrid functionals in 2025.1

Konstantin Tokarev annulen at gmail.com
Sun Jun 15 08:41:10 UTC 2025


Hello CP2K community,

I've found threads from 2015 [1] and 2018 [2] saying that NMR calculations 
with hybrid functionals were not implemented in CP2K. Is this still the 
case?

[1] https://groups.google.com/g/cp2k/c/OuTdfRw9Aek/m/3DEwGAeWgzYJ
[2] https://groups.google.com/g/cp2k/c/MPK3IkwLKY0/m/9Bh08yNjBAAJ

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