Subject: Re: CCL:frequency scaling factor for DFT

From: Anthony P Scott <[email-masked]>
Date: Thu, 5 Oct 1995 08:45:06 +1000 (EST)

On Wed, 4 Oct 1995, Dongchul Lim wrote:

> I don't think scaling of vibrational frequencies is necessary
> for DFT calculations due to empirical nature of DFT functionals.
> But are there scaling factors for frequencies from different
> DFT methods, especially BECKE3LYP?
> -D.L.
> [email-masked]
> 
> 
Dear Dongchul,

WE are currently finalizing the writeup of just such a study. If you would
like to know the scaling factors for a variety of DFT methods drop me a line.

In the meantime I can point you to a recent paper by Pulay (JPC, 1995, 
99, 3093)

Kind Regards,

Anthony P. Scott