I want to plot potential surface diagram to determine the conical intersection using GAMESS .Please make Replies.
Thank you
Hi,
For this purpose, I use
http://www.chemissian.com/
this is the best for me. But unfortunately is payment. A free code can be Gabedit: http://gabedit.sourceforge.net/
I hope it is useful for you.
Thank you for your comment Julio Aguiar .I will check it .
can you please let me know hoe to do it using GAMESS software ...?
You must first obtain the out xxxx.log file.
I tried but I was able to make it just by changing the bond length .I need to perform the geometry optimization as well .Please help I need to use GAMESS .
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