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Re: Vibrational frequencies for open shell systems

Alex Granovsky
gran@classic.chem.msu.su


Hi,

The only way is to use large compute cluster and run this job in parallel.

Regards,
Alex Granovsky

On Thu Oct 14 '10 12:29pm, Amir Nasser Shamkhali wrote
------------------------------------------------------
>Dear All
>I'm trying to calculate vibrational frequencies for a transition metal complex with 40 atoms and 5 spin multiplicity. But it seems that the analytic methods are not available for UHF type calculations with DFT methods. This calculation is very time consuming. How can I reduce it's computational time? Thanks alot.


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