Re: Re: Calculating macroscopic properties

From: Mark Abraham (
Date: Thu May 03 2007 - 00:42:26 CDT wrote:
> Thanks everyone, I only have crystal structures of the solid and their
> IR/Raman spectrums at the moment, and not the more physical properties
> like diffusion constant. There are MP staudies lying around, though.

One thing to start with might be seeing if you can reproduce the density
of the liquid with your model.


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