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Re: Generation of NTOs...

Alex Granovsky


Firefly internally does not generate NTOs. You can generate them
using transition density matrix.

Kind regards,
Alex Granovsky

On Wed Sep 2 '15 12:28pm, Siddheshwar Chopra wrote
>Dear All,
>I want to get natural transition orbitals from TDDFT output. Could anyone tell the "commands" for the same in Firefly? Is there any software for plotting the same?

>Kind Regards,

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