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You can choose an avatar and change the default style by going to "Profile" → "Personality" or "Display".#1 2023-01-25 20:19:35
- DAdrion
- Member
- Registered: 2022-08-04
- Posts: 4
Dispersion corrections for CASSCF calculations
Hello all,
I am trying to run CASSCF calculations with a dispersion correction on a system I have been working on, and was wondering if there are any corrections already built into MOLCAS? It seems from the manual that this can be done using the QMSTAT keyword, but it also seems that a specific atom parameter file is required. If there are any built in, or if there are any ways to easily add in dispersion corrections to the calculations, I would definitely use those. I'm happy to answer any more questions or clarify if need be. Thanks!
Dan
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