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Re^3: Generation of NTOs...

Alex Granovsky


Sorry I do not know such a package.

Alex Granovsky

On Fri Sep 11 '15 1:17pm, Siddheshwar Chopra wrote
>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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