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Re: geometry optimization in the presence of electric field

Alex Granovsky
gran@classic.chem.msu.su


Hi Patrick,

could you please attach a sample input file that failed?

Kind regards,
Alex Granovsky



On Fri Dec 21 '12 5:15pm, Patrick SK Pang wrote
-----------------------------------------------
>Dear all,

>I found Firefly 7.1g could not perform the geometry optimization in the presence of electric field (EFIELD). Are there any keywords can deal with the case?

>Regards,

>Patrick


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