Firefly and PC GAMESS-related discussion club
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Use of Firefly:
Dr. Siddheshwar Chopra
sidhusai@gmail.com
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.
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Thu Nov 29 '12 9:41am
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