Subject: CCL:Problem of Raman calculation by Gaussian94w

From: "Jens Spanget-Larsen" <[email-masked]>
Date: Thu, 8 Aug 2002 10:31:15 +0100

Patrik:
> Freq=Raman is what you wanna say -  but beware, it takes much more
> time (numerical calc).

Sure, freq=raman is what you need if you wish to compute Raman 
scattering activities with DFT, and it does take a considerable 
amount of time. But G98 has a more efficient numerical routine, it 
computes Raman data much faster than G94.

Jens >--<

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