[Wien] Reg: charge density plots

[Antoine V]

The charge density is positive. Only the spin density can be negative.

Here -0.002 is simply the small numerical error on the charge density 
values, not a problem.

Le 10/04/2013 11:14, Swetarekha Ram a écrit :
> Thank You Sir,
>
> FOR YOUR REPLY
>
> To get the details of the system, I have edited the case.in2 according 
> to the UG.
>
> If I will take the lowest rendered value -0.002 and higest rendered 
> value 0.02.
>  I get the color bar of the values from -0.002 to 0.02.
>
> My doubt is
>
> what actually the negative and positive sign represents ?
>
>
>
>
>
>
>
> On Wed, Apr 10, 2013 at 1:10 PM, Swetarekha Ram 
> <swetarekharam at gmail.com <mailto:swetarekharam at gmail.com>> wrote:
>
>     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,
>
>
>
>
>
> -- 
> Swetarekha Ram,
> Research Scholar,
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130410/c64e2f71/attachment.htm>