[Wien] How to select the isovalue of isosurface ?

[Stefaan Cottenier]

> As using the xcrysden to plot the 3D charge density, the isovalue of
> isosurface is adjustive. Would you please tell me how to select the
> isovalue? What determines this isovalue ? Whether is the selection of
> isovalue related to the covalent or ionic interaction?

The isovalue is an input number: any value between the minimum and the  
maximum of your case is 'good', and will result in a different  
isosurface. What is the 'best' isovalue depends on what information  
you want to extract from these isosurfaces.

Stefaan


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