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Re^4: 3 State conical intersection

Abhineet Agarwal

I am performing geometry optimization on the system.

On Thu Mar 12 '15 11:16pm, Jim Kress wrote
>Are you doing a geometry optimization or just a single point calculation?

>On Fri Feb 27 '15 7:47am, Abhineet Agarwal wrote
>>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?


>>>On Wed Feb 25 '15 2:32pm, Abhineet Agarwal wrote
>>>>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.


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