<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body text="#000000" bgcolor="#FFFFFF">
<div class="moz-cite-prefix">Color code bar (or isovalue lines)
conditions the image you will obtain for the charge density. <br>
<br>
If charge density values extend over a very broad range (say, from
zero to very high values in the core region), you will obtain an
image with few details (atomic spherical shapes).<br>
<br>
The more you restrict the charge density values to be plotted (for
example, by cutting off high values associated to the core
regions), the more details you will obtain in the inter-atomic
region (chemical bonding). The color code will extend over the
range you have chosen (highest minus lowest rendered values).<br>
<br>
The final image will also depend on the color scheme (rgb, ...)
and on the type of scale (linear, log, ...).<br>
<br>
Limiting the highest rendered value is necessary if you polt the
total charge density. It might be not necessary for the valence
charge density alone.<br>
<br>
<br>
<br>
Le 10/04/2013 09:40, Swetarekha Ram a écrit :<br>
</div>
<blockquote
cite="mid:CAFsnUVZYi+sKZPqpeDAeQpWb=Fv=E33MnppY+moRniDX2+RjiQ@mail.gmail.com"
type="cite">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.<br>
<br>
-- <br>
Swetarekha Ram,<br>
Research Scholar,<br>
<br>
<br>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
<pre wrap="">_______________________________________________
Wien mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a>
SEARCH the MAILING-LIST at: <a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a>
</pre>
</blockquote>
<br>
</body>
</html>