23 September 2022 1 2K Report

I am using double hybrid functional b2plyp, b2plyp-d3 for single point excited state calculation with TDDFT method in Gaussian09. It is showing this error:

"No CIS or TD with Post-SCF methods."

Why is this showing so?

Please reply.

More Soumyadip Ray's questions See All
Similar questions and discussions