PC GAMESS/Firefly-related discussion club

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Alex Granovsky
gran@classic.chem.msu.su

Indeed, there are plans to implement fully analytical DFT Hessians later this year (actually, they are "semi-analytical" (or semi-numerical) at moment).

Regards,
Alex

On Fri Apr 17 '09 4:09pm, Thomas Patko wrote
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>Is there any plans to have DFT hessian calculated analytically?  This would be quite helpful to speedup thermochemistry jobs if it is possible.

>Cheers,

>Thomas