Firefly and PC GAMESS-related discussion club


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



Re^2: 3 State conical intersection

Abhineet Agarwal
agarwal.abhi93@gmail.com


I have considered a very simple system of 9 atoms, malonaldehyde.

On Thu Feb 26 '15 11:53pm, Jim Kress wrote
------------------------------------------
>What molecular system are you examining?

>Jim

>On Wed Feb 25 '15 2:32pm, Abhineet Agarwal wrote
>------------------------------------------------
>>Hi,
>>I have started using Firefly a few months back. I know how to calculate conical intersection between two PES. But, I wanted to know if we could calculate conical intersection between 3 PES using firefly.

>>


[ Previous ] [ Next ] [ Index ]           Fri Feb 27 '15 7:47am
[ Reply ] [ Edit ] [ Delete ]           This message read 392 times