Firefly and PC GAMESS-related discussion club


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


Re^4: 3 State conical intersection

Abhineet Agarwal
agarwal.abhi93@gmail.com

Hi,
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?

>>>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 Mar 13 '15 8:16am
[ Reply ] [ Edit ] [ Delete ]           This message read 550 times