[CP2K-user] [CP2K:16420] B97GRIMME vs B97_GRIMME

mdsimula...@gmail.com mdsimulationgroup at gmail.com
Fri Dec 31 20:24:27 UTC 2021


Hi,

Are B97GRIMME and B97_GRIMME the same thing...they are found 
here: https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/XC/XC_FUNCTIONAL/BECKE97.html

Thanks,
Joe

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