[Wien] Reg: charge density plots

Swetarekha Ram swetarekharam at gmail.com
Wed Apr 10 11:55:04 CEST 2013


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>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>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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