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<div class="moz-cite-prefix">What would be the "proper way"?<br>
<br>
Accumulation and depletion make sense when you compare the actual
electron density with the superimposition of atomic densities, for
example.<br>
<br>
Le 10/04/2013 11:55, Swetarekha Ram a écrit :<br>
</div>
<blockquote
cite="mid:CAFsnUVZbDL0bVQzekctoWwByi41S+J7EDv1jvP6Q1F180PYJaw@mail.gmail.com"
type="cite">Thank You Sir,<br>
FOR YOUR REPLY<br>
<br>
WHAT I have done is the valence electron density plot, <br>
<br>
I have seen in some paper, where authors have explained about the
charge accumulation and depletion.(PRB 79, 12522(2009))<br>
<br>
So what actually mean by the depletion.<br>
<br>
In my calculation, when I am taking the higher rendered value from
0.002 , I am not getting the plot in proper way.<br>
<br>
can you tell, where I am going wrong.<br>
Thanking You<br>
<br>
<br>
<br>
<div class="gmail_quote">On Wed, Apr 10, 2013 at 2:44 PM,
Swetarekha Ram <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:swetarekharam@gmail.com" target="_blank">swetarekharam@gmail.com</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
Thank You Sir,<br>
<br>
FOR YOUR REPLY<br>
<br>
To get the details of the system, I have edited the case.in2
according to the UG.<br>
<br>
If I will take the lowest rendered value -0.002 and higest
rendered value 0.02. <br>
I get the color bar of the values from -0.002 to 0.02.<br>
<br>
My doubt is<br>
<br>
what actually the negative and positive sign represents ?
<div class="HOEnZb">
<div class="h5"><br>
<br>
<br>
<br>
<br>
<br>
<br>
<br>
<div class="gmail_quote">On Wed, Apr 10, 2013 at 1:10 PM,
Swetarekha Ram <span dir="ltr"><<a
moz-do-not-send="true"
href="mailto:swetarekharam@gmail.com"
target="_blank">swetarekharam@gmail.com</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">Dear
users,<br>
<br>
I have small doubt in the charge density plots.<br>
<br>
At the time of doing the charge density plots through
Xcrysden it will ask for the lowest rendered value and
highest rendered value.<br>
According to this we will get our color code bar.<br>
<br>
<br>
Can any one tell me what actually it mean ?<br>
<br>
What information we will get from this. <br>
<br clear="all">
Thanking You.<span><font color="#888888"><br>
<br>
-- <br>
Swetarekha Ram,<br>
Research Scholar,<br>
<br>
<br>
</font></span></blockquote>
</div>
<br>
<br clear="all">
<br>
-- <br>
Swetarekha Ram,<br>
Research Scholar,<br>
<br>
</div>
</div>
</blockquote>
</div>
<br>
<br clear="all">
<br>
-- <br>
Swetarekha Ram,<br>
Research Scholar,<br>
<br>
<br>
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<br>
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