Firefly and PC GAMESS-related discussion club


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



Re: Conical interestion

Alex Granovsky
gran@classic.chem.msu.su


Hi,

could you please provide your input and output files?


Kind regards,
Alex Granovsky



On Mon Apr 6 '15 8:56am, Abhineet Agarwal wrote
-----------------------------------------------
>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 ]           Fri Apr 10 '15 11:55pm
[ Reply ] [ Edit ] [ Delete ]           This message read 554 times