Dear Stefaan Sir,<div><br></div><div> Thank you very much for clearing all of my doubts....Thank you very much Sir.</div><div><br></div><div>with best regards,</div><div><br></div><div>Shamik Chakrabarti<br>
<br><div class="gmail_quote">On Thu, May 6, 2010 at 4:34 PM, Stefaan Cottenier <span dir="ltr"><<a href="mailto:Stefaan.Cottenier@ugent.be">Stefaan.Cottenier@ugent.be</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div class="im"><br>
> But is your reply indicating that.......<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
the excited states *may be* those states having higher energy....but it is *not sure* that whether the states having higher energy will be the excited states of the system??......Please assure me that this is the meaning of your reply...........<br>
</blockquote>
<br></div>
Yes.<div class="im"><br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
but if this is the meaning then another question is that may it be happened that some converged solutions of the system actually never be found in reality??...<br>
</blockquote>
<br></div>
Sure. You examined only ferromagnetic, antiferromagnetic and 'non-magnetic' states. But for sure there are many more magnetic configurations for which you can get a converged solution. And the same holds also for the structural degrees of freedom: you will find converged solutions for your solid in e.g. bcc, fcc, ... crystal structures. No way to find all these many situations if you increase the temperature.<div class="im">
<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
if this is true then the question is why?<br>
</blockquote>
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Many possible reasons:<br>
<br>
* all calculated information is at 0 K. Phonons and all kinds of electronic excitations will enter the game at temperatures above 0 K, and these might alter the picture.<br>
* something else might have happened before (e.g. a structural phase transition occurs before you reach the point where a magnetic phase transition in the original material would have occurred)<br>
* some solutions correspond to saddlepoints, and will spontaneously evolve to another solution<br>
* your material might be molten before you reach the energy corresponding to a particular case<br>
*...<div><div></div><div class="h5"><br>
<br>
Stefaan<br>
<br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br>Shamik Chakrabarti<br>Research Scholar<br>Dept. of Physics & Meteorology<br>Material Processing & Solid State Ionics Lab<br>IIT Kharagpur<br>Kharagpur 721302<br>
INDIA<br>
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