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Re: Use of Firefly:

Howard Leo

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  I hope that this helps.  Howard

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