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Re: Generation of NTOs...

Alex Granovsky
gran@classic.chem.msu.su


Hello,

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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