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Regarding the CITYP=TDDFT calculation for the excited state
Siddheshwar Chopra
sidhusai@gmail.com
Dear Users,
I wish to know Does using "CITYP=TDDFT RUNTYP=OPTIMZE" optimize the lowest (first) excited state? How do I ensure the same? I used the optimized S0 geometry for this run with state tracking on.Regards,
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Tue Aug 26 '14 1:18pm
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