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How to use Firefly 8.0.0 to do a numerical gradients optimization?

ganymede
ganymede1314520@gmail.com


Dear Firefly group:

營 wanna do a numerical gradients optimization in Firefly 8.0.0, like XMCQDPT and B2PLYP functionals, but there lack of keywords of Firefly 8.0.0 about this new routin, could you please help to provide some examples for me?

Thank you very much!


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