[CP2K-user] Potential for 6-31g* and HYB_GGA_ functional

SUBHASISH MALLICK 2016r... at mnit.ac.in
Thu Sep 5 06:46:08 UTC 2019

I am a new user of cp2k. Can you please suggest what would be the most 
suitable potential  for XC_HYB_GGA_XC_WB97X_D functional with 631g* basis 
set. Is there any suggestion for SCF convergence problem?


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