Firefly and PC GAMESS-related discussion club

 
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Panwang Zhou
pwzhou@gmail.com

Thanks.

B.T.W. For the firefly, I think an updated, complete and detailed documentation is necessary.

On Fri Apr 20 '12 6:26pm, Thomas wrote
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>Dear Panwang,

>Firefly is indeed capable of locating conical intersections. See the following link for some input file examples:

>http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C34df668afbHW-6966-842+00.htmhttp://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C34df668afbHW-6966-842+00.htm

>Documentation on this functionality is not (yet) available, but feel free to leave a message if you have any questions.
>
>
>Kind regards,
>Thom
>
>
>
>
>On Fri Apr 20 '12 4:11pm, Panwang Zhou wrote
>--------------------------------------------
>>Dear all:
>>
>>Can the Firefly be used to locate conical intersection point on the intersection seam of two potential energy surfaces? Thanks.

>>Best Regards,
>>
>>
>>==============================================
>>Panwang Zhou  
>>State Key Laboratory of Molecular Reaction Dynamics
>>Dalian Institute of Chemical Physics
>>Chinese Academy of Sciences.
>>Tel: 0411-84379195 Fax: 0411-84675584
>>===============================================
>>