<html><body><div style="color:#000; background-color:#fff; font-family:garamond, new york, times, serif;font-size:14pt"><dl><dd>Dear emine,</dd><dd>as yo see the energy is written as function as volume, <span id="result_box" class="short_text" lang="en"><span class="hps">Each</span> <span class="hps">structure</span> <span class="hps">has its own</span> <span class="hps">volume.</span></span></dd><dt>So >> the equation is written as function as volume ----> the equation is written as fucion as structurre.<br></dt><dd><img class="tex" alt="
E = E_0 + \frac{1}{2} B_0 \frac{(V-V_0)^2}{V_0}.
" src="http://upload.wikimedia.org/math/8/0/a/80ac89ce5ad29dbb8361bbb8851c569b.png"></dd></dl> <div style="font-family: garamond, new york, times, serif; font-size: 14pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <hr size="1"> <font face="Arial" size="2"> <b><span style="font-weight:bold;">De :</span></b> Kucukbenli Emine <emine.kucukbenli@epfl.ch><br> <b><span style="font-weight: bold;">À :</span></b> PWSCF Forum <pw_forum@pwscf.org> <br> <b><span style="font-weight: bold;">Envoyé le :</span></b> Dimanche 28 avril 2013 15h31<br> <b><span style="font-weight: bold;">Objet :</span></b> Re: [Pw_forum] murnaghan : bct<br> </font> </div> <div class="y_msg_container"><br><div id="yiv2953566259">
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<div>Dear Sakhraoui, Hui</div>
<div>as you see below, the equation is state is written as a function of volume,</div>
<div>so as long as you can find a way to provide the ev.x with the right volume,</div>
<div>the equation of state fit you get is independent of the structure.</div>
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<div><a rel="nofollow" target="_blank" href="http://en.wikipedia.org/wiki/Birch%E2%80%93Murnaghan_equation_of_state">http://en.wikipedia.org/wiki/Birch%E2%80%93Murnaghan_equation_of_state</a></div>
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<div>best,</div>
<div>emine kucukbenli, postdoc at theos, epfl, switzerland</div>
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