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Please always indicate the question as detailed as possible in the post title, I have changed your title. Gaussian supports density fitting technique to accelerate calculation, however in Gaussian this technique only supports for pure functional. Since the wB97XD is a hybrid functional, it is completely meaningless to specify fitting set in the present case, so you should leave this option blank. |
| I couldn't understand what you want to mean by "when i choose this method gaussian the fitting set parameter". Please explain, and please also provide some background to your question. |
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