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Re: TDPRP=.t. related question....

Alex Granovsky
gran@classic.chem.msu.su


Hello,

to get transition moment for this state, you need to set nstate
to 5 or higher. You do not need any additional options.

Kind regards,
Alex Granovsky





On Wed Jul 29 '15 2:22pm, Siddheshwar Chopra wrote
--------------------------------------------------
>Dear Sir,
>I have run TDDFT calculations, and found 5th state to be dominant. I want the transition moments for this state. What command/s should I use in $DFT? I am confused between IROOT and ISTATE.
>
>Kind Regards,


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