Firefly and PC GAMESS-related discussion club


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



Re^3: $IRC keyword definition

Leira Ruth A. F.
leiraruth@gmail.com


Dear Luca,

Your post has been helpful since I also had experienced the same problem now. But I'd like to know if you used the same $DATA and $HESS input in both forwrd=.t. and forwrd=.f. of your irc calculations. Is it not necessary to modify the geometry a bit along the direction of the imaginary normal mode?

Sincerely,
Leira


[ Previous ] [ Next ] [ Index ]           Thu Jun 6 '13 12:47pm
[ Reply ] [ Edit ] [ Delete ]           This message read 544 times