Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly

Roman Zubatyuk
zubatyuk@gmail.com

Try to use nprint=7 (default) or 8 in $contrl.

Regards,
Roman Zubatyuk

On Tue Jan 12 '10 2:19pm, Siavash Riahi wrote
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>hi dear
>I`m an undergraduate student in PHD degree of department of chemistry of Tehran .I`m doing my final project, studying interaction energy between some ligands and cations using B3LYP/SBKJC,using Gamess(Firefly).
>I have a problem with the HOMO and LUMO energy; I don’t know how to calculate it.
>For example I get confused to calculate the HOMO energy in out put file that number of electrons is 165 . I'm attaching output file to this post.
>so what should I do?
>Best regards
>