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Re^3: 3 State conical intersection

Jim Kress
jimkress_35@kressworks.com


Are you doing a geometry optimization or just a single point calculation?

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

>>>


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