<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
<div class="moz-cite-prefix">Which temperature effect do you want to
consider? <br>
Indeed, the effect of temperature on the atomic structure is
usually the more important one for EFGs... <br>
Thus one way to consider the temperature effect on these
properties is simply to consider different atomic structures
refined for different temperatures (volume expansion...). <br>
<br>
Best Regards<br>
<br>
Xavier<br>
<br>
<br>
<br>
Le 7/17/2013 9:44 AM, abdel Mar.. a écrit :<br>
</div>
<blockquote cite="mid:DUB123-W37E83C54E57F9290416277B6610@phx.gbl"
type="cite">
<style><!--
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 12pt;
font-family:Calibri
}
--></style>
<div dir="ltr"><span id="result_box" lang="en"><span class="hps"></span>Dear
Wien2k users<br>
<span class="hps"><br>
is</span> <span class="hps">there a</span> <span
class="hps">way to</span> <span class="hps">include the </span><span
class="hps"> temperature effetc in the</span> <span
class="hps">calculation of the</span> <span class="hps">Mossbauer</span>
<span class="hps">parameters </span>( <span class="hps">EFGs,
RTO)</span><span>.</span><br>
<span class="hps"><br>
may be</span> <span class="hps">with</span> <span
class="hps">in</span> <span class="hps">case.in2</span><span>?</span><span>:
with switching to TEMP with a fixed value?</span><br>
<span class="hps">TEMP</span> <span class="hps">0000</span> <span
class="hps atn">(</span><span>GAUSS</span><span>,</span> <span
class="hps">ROOT,</span> <span class="hps">TEMP</span><span>,</span>
<span class="hps">TETRA</span><span>,</span> <span
class="hps">ALL</span> <span class="hps">eval)<br>
<br>
Best regards<br>
<br>
A<br>
<br>
<br>
</span></span> </div>
<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>