Firefly and PC GAMESS-related discussion club


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



MEP (mininum energy paths) calculations

Antonio Carlos Borin
antonioc.borin@gmail.com


Dear users,

is it possible to compute a MEP, on a particular excited state potential energy surface, starting in the Franck-Condon region? Where can I find an input file as example?

Best
Antonio


[ Previous ] [ Next ] [ Index ]           Thu Oct 17 '13 5:35pm
[ Reply ] [ Edit ] [ Delete ]           This message read 1024 times