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Masoud Nahali
masoudnahali@gmail.com

The physical property that you study indicates the level of accuracy that you need. CORRELATION CONSISTENT BASIS SETS were designed to converge systematically to the complete-basis-set (CBS) limit using empirical extrapolation techniques. So the computational cost of your hessian analysis depends on which type of them you do select and also the diffuse functions that you may add. So may be you should check the accuracy of the method and basis set for a small known system which has your elements or is very similar to your system as the first step. It is fun to do it once in your life before going to speedup the hessian calculation of a large system. I hope it helps. Sincerely Yours, m

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Best Wishes
Masoud Nahali
SUT  


On Tue Jan 15 '13 7:39pm, Siddheshwar Chopra wrote
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>Dear Sir,
>I have been busy understanding the methods to speed up the Hessian calculations. One of the information I came across is the use of CORRELATION CONSISTENT BASIS SETS. Sir, is there any information available that indicates the sort of error induced due to their use; when compared to Pople's basis set like say 6-31G?
>Sir, another thing I wanted to know is that IS the use of basis set needed in HESSIAN calculation too? I mean does the choice of basis set play any role in Hessian calculation?

>Regards,
>S. Chopra