Re: Re: Calculating macroscopic properties

From: Mark Abraham (Mark.Abraham_at_anu.edu.au)
Date: Thu May 03 2007 - 00:42:26 CDT

poker_at_physics.usyd.edu.au 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.

Mark

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