Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



Re^2: Generation of NTOs...

Siddheshwar Chopra
sidhusai@gmail.com


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

Regards,

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


[ Previous ] [ Next ] [ Index ]           Fri Sep 11 '15 1:17pm
[ Reply ] [ Edit ] [ Delete ]           This message read 353 times