Dear all,

I would like to compute the singlet and triplet excited state energy for a closed-shell system using the Spin-Adapted Spin-Flip DFT approach. While the calculation of the singlet states goes smoothly, I am not able to get the triplets. By including the keyword “CIS_TRIPLETS = true” in the $rem section I always obtain the energy for singlet states, even if I write “CIS_SINGLETS = true”. Is there a way to obtain the triplets within this approach?

Thank you very much for your help.

Best Regards,

Gaetano