[CP2K-user] Pseudopotentials for M06 calculations

Massimo Bocus massib... at gmail.com
Fri Sep 18 13:23:31 UTC 2020


Dear CP2K users/developers,

I would like to perform some calculations with CP2K using the hybrid M06 
functional. However, it is not obvious to me which set of pseudopotentials 
should be used to obtain correct results from the calculation, as there are 
none specific for the Minnesota functionals family.

Thanks in advance, 
Massimo
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