Firefly and PC GAMESS-related discussion club

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

Use of Firefly:

Dr. Siddheshwar Chopra

Can I use Firefly for periodic systems like thin films? Also plz tell me how to find HOMO, LUMO energies? And how do I use a firefly FULLY OPTIMIZED molecule for further calculations? I mean I have the .out file and I wish to save it forever for further calculations and as an input to further calculations. Pardon me for the naive nature of questions as I am just learning Firefly.
[ Previous ] [ Next ] [ Index ]           Thu Nov 29 '12 9:41am
[ Reply ] [ Edit ] [ Delete ]           This message read 857 times