[Wien] Reg: charge density plots

[Antoine V]

What would be the "proper way"?

Accumulation and depletion make sense when you compare the actual 
electron density with the superimposition of atomic densities, for example.

Le 10/04/2013 11:55, Swetarekha Ram a écrit :
> Thank You Sir,
> FOR YOUR REPLY
>
> WHAT I have done is the  valence electron density plot,
>
> I have seen in some paper, where authors have explained about the 
> charge accumulation and depletion.(PRB 79, 12522(2009))
>
> So what actually mean by the depletion.
>
> In my calculation, when I am taking the higher rendered value from 
> 0.002 , I am not getting the plot in proper way.
>
> can you tell, where I am going wrong.
> Thanking You
>
>
>
> On Wed, Apr 10, 2013 at 2:44 PM, Swetarekha Ram 
> <swetarekharam at gmail.com <mailto:swetarekharam at gmail.com>> wrote:
>
>     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,
>
>
>
>
> -- 
> Swetarekha Ram,
> Research Scholar,
>
>
>
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