Comments (2)
nutjunkie
commented on July 29, 2024
Hi Felix,
In order to trigger a CIS/TD-DFT calculation, you should select CIS/TD-DFT from the Method combo box in the main set up panel. This will set the necessary REM variables you referred to and also show a new panel below with additional related REMs. The advanced panel contains those options I felt were unlikely to require changing for most users.
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felixplasser
commented on July 29, 2024
Oh, thanks! Now I see what you are talking about. The thing that confused me is that the "Method" box in IQMol does not translate to the Method keyword in Q-Chem. But now I get it and it looks nice.
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