Firefly and PC GAMESS-related discussion club


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



Conical interestion

Abhineet Agarwal
agarwal.abhi93@gmail.com


Hi,
I was searching for a conical intersection between the ground and the first excited state using a three state averaged theory. But I was being given a severe error, the singular angular variable error. Could any one tell me why this error shows up ?
[ Previous ] [ Next ] [ Index ]           Mon Apr 6 '15 8:56am
[ Reply ] [ Edit ] [ Delete ]           This message read 777 times