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Re^2: Generation of NTOs...

Siddheshwar Chopra

Could you tell a package to do the same? Or any code available for the same?


On Thu Sep 3 '15 10:46pm, Alex Granovsky wrote

>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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