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Re: A problem about Mayer bond order

Masoud Nahali
masoudnahali@gmail.com


Dear Jinzhao

This is the forum of Firefly NOT the Gamess ! Firefly reports different bond orders (Mulliken and Lowdin) and if you have the licence of NBO you can get the NBO bond order too. Please provide more information about your input and output files so that we can help you. Best Wishes, m


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Masoud Nahali
SUT
masoud.nahali@gmail.com
alum.sharif.edu/~m_nahali
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On Thu Jan 10 '13 3:29pm, jinzhao wrote
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>I know Mayer bond order is in the end of the Gamess output files.But I find it only existes in the first output file. In the follow-up output files it disappeared. How to make it appeares in the follow-up output files?


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