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How to use RUNTYP=TRUDGE for TDDFT excited state Geometry Optimization

Veinardi Suendo
vsuendo@chem.itb.ac.id


Dear Colleagues,

I am calculating absorption spectra for several organic dyes using both CIS dan TDDFT. In the next steps, I would like to calculate the emission spectra that I believe I have to calculate from the relaxed structure of the excited states. I found the solution for CIS in some previous discussions, but not for TDDFT, where I have to use the TRUDGE runtype. I had tried to read the manual but I found it is not so practical. Is there anybody who could help me with some examples of TRUDGE runtype for excited state geometry optimization. Thank you very much in advance.

Best regards,

Veinardi Suendo


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