Hi,<div><br></div><div>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</div><div><br></div><div>Thanks,</div><div>Joe</div>

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