[xcrysden] a question about isovalue

[mohnish pandey]

Dear Chen,
                 I meant to say that charge density distribution after
relaxing the structure should be unchanged , I did not mean that it will be
uniform throughout the structure, I have the question that how this
distribution is changing bu changing the "isovalue". Please let me know if I
have not made my statement clear.

Thanks alot

2010/5/18 陈伟槟 <bingmou2004 at gmail.com>

> Why  do you say " the charge density distribution of system is same "?
> Shouldn't there be more electons arounding the positive nuclear than far
> away from the nuclear?
>
> 2010/5/18 mohnish pandey <mohnish.iitk at gmail.com>
>
>> Dear Xcrysden users,
>>                                  I have one trivial question about the
>> isovalue. What exactly isovalue implies, I mean what is the physical
>> interpretation of the isovalue? Because as I think the charge density
>> distribution of system is same so how the value is isovalue is changing the
>> charge density plot?
>>
>> Thanks in advance,
>>
>> --
>> Regards,
>> MOHNISH,
>> -----------------------------------------------------------------
>> Mohnish Pandey
>> Y6927262,4th Year dual degree student,
>> Department of Chemical Engineering,
>> IIT KANPUR, UP, INDIA
>> +919235721300
>> -----------------------------------------------------------------
>>
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>>
>
>
> --
> 陈伟槟
> Chen Weibing
> 中科院半导体研究所超晶格国家实验室
> The State Key Laboratory for Superlattices and Microstructures
> Institute of Semiconductor, Chinese Academy of Science
>
>
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>


-- 
Regards,
MOHNISH,
-----------------------------------------------------------------
Mohnish Pandey
Y6927262,4th Year dual degree student,
Department of Chemical Engineering,
IIT KANPUR, UP, INDIA
+919235721300
-----------------------------------------------------------------
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