'QC-SCF not implemented/tested for DFT' when calculating phosphorescence lifetime

Hello,

I encountered an issue while calculating the phosphorescence lifetime for a molecule containing a Au atom using the following Dalton input:

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**DALTON .RUN RESPONSE **INTEGRALS .SPIN-ORBIT **WAVE FUNCTIONS .DFT CAMB3LYP **RESPONSE *QUADRATIC .ECPHOS .ROOTS 1 **END OF

The calculation terminates with the following error message:

--- SEVERE ERROR, PROGRAM WILL BE ABORTED --- Reason: QC-SCF not implemented/tested for DFT

Previously, I encountered issues related to the number of orbitals:

Increase MXSHEL in DALTON/include/maxorb.h and recompile. and Increase MAXWOP in include/infvar.h and rebuild

I increased these variables, recompiled the program, and those issues were resolved. However, now I’m getting the "QC-SCF not implemented/tested for DFT" error.

I’ve tried to increase other variables, but the issue persists. Additionally, I tested the calculation of the phosphorescence lifetime on a smaller test molecule containing Au, and it completed successfully. Unfortunately, I couldn’t find any relevant information about this specific error in the documentation or other sources.