Siddheshwar Chopra
sidhusai@gmail.com
Regards,
On Thu Sep 3 '15 10:46pm, Alex Granovsky wrote
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>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
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>>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,