[Wien] Reg: charge density plots

[Antoine V]

Color code bar (or isovalue lines) conditions the image you will obtain 
for the charge density.

If charge density values extend over a very broad range (say, from zero 
to very high values in the core region), you will obtain an image with 
few details (atomic spherical shapes).

The more you restrict the charge density values to be plotted (for 
example, by cutting off high values associated to the core regions), the 
more details you will obtain in the inter-atomic region (chemical 
bonding). The color code  will extend over the range you have chosen 
(highest minus lowest rendered values).

The final image will also depend on the color scheme (rgb, ...) and on 
the type of scale (linear, log, ...).

Limiting the highest rendered value is necessary if you polt the total 
charge density. It might be not necessary for the valence charge density 
alone.



Le 10/04/2013 09:40, Swetarekha Ram a écrit :
> Dear users,
>
>   I have small doubt in the charge density plots.
>
> At the time of doing the charge density plots through Xcrysden it will 
> ask for the lowest rendered value and highest rendered value.
> According to this we will get our color code bar.
>
>
> Can any one tell me what actually it mean ?
>
> What information we will get from this.
>
> Thanking You.
>
> -- 
> Swetarekha Ram,
> Research Scholar,
>
>
>
>
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