Firefly and PC GAMESS-related discussion club


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



Re: Use of Firefly:

Howard Leo
leoh@sunyocc.edu


On Thu Nov 29 '12 9:41am, Dr. Siddheshwar Chopra wrote
------------------------------------------------------
>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.

There is a very easy to use program that will do what you are looking for: MaSK, You can download it at
http://ccmsi.us/mask/.  I hope that this helps.  Howard


[ Previous ] [ Next ] [ Index ]           Fri Nov 30 '12 9:02pm
[ Reply ] [ Edit ] [ Delete ]           This message read 646 times