Firefly and PC GAMESS-related discussion club

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

How to use Firefly 8.0.0 to do a numerical gradients optimization?


Dear Firefly group:

營 wanna do a numerical gradients optimization in Firefly 8.0.0, like XMCQDPT and B2PLYP functionals, but there lack of keywords of Firefly 8.0.0 about this new routin, could you please help to provide some examples for me?

Thank you very much!

[ Previous ] [ Next ] [ Index ]           Sun Jul 29 '12 5:47am
[ Reply ] [ Edit ] [ Delete ]           This message read 861 times