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<div class="moz-cite-prefix">It looks like it is starting to curve
at the volume of 10575.3364. So you probably need calculations at
smaller volumes.<br>
<br>
<img src="cid:part1.04040301.04000608@crimson.ua.edu" alt=""><br>
<br>
On 9/8/2015 7:43 PM, Marzieh Gh wrote:<br>
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<blockquote
cite="mid:CAMDR0jc_Qtar-dRwuUUJEtnHZ_UdUg0SEe2Kd431APyAGCX_AQ@mail.gmail.com"
type="cite">
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<p class="MsoNormal"><span
style="font-size:8pt;line-height:115%;font-family:"Times
New Roman","serif"">Dear Prof.Blaha &
Tran</span></p>
<p class="MsoNormal"><span
style="font-size:8pt;line-height:115%;font-family:"Times
New Roman","serif"">I have calculated
optimization of supercell (1*1*2).
But Energy vs Volume is linear!</span></p>
<p class="MsoNormal"><span
style="font-size:8pt;line-height:115%;font-family:"Times
New Roman","serif"">case.outputeos:</span></p>
<p class="MsoNormal"
style="margin-bottom:0.0001pt;line-height:normal"><span
style="font-size:10.5pt;font-family:"Courier New""><span
style="mso-spacerun:yes"> </span>10575.3364<span
style="mso-spacerun:yes">
</span>-88567.151612<span style="mso-spacerun:yes"> </span><br>
<span style="mso-spacerun:yes"> </span>11162.8553<span
style="mso-spacerun:yes"> </span>-88566.366642<span
style="mso-spacerun:yes"> </span><br>
<span style="mso-spacerun:yes"> </span>12925.4112<span
style="mso-spacerun:yes"> </span>-88561.471064<span
style="mso-spacerun:yes"> </span><br>
<span style="mso-spacerun:yes"> </span>11750.3745<span
style="mso-spacerun:yes"> </span>-88565.095045<span
style="mso-spacerun:yes"> </span><br>
<span style="mso-spacerun:yes"> </span>12337.8929<span
style="mso-spacerun:yes"> </span>-88563.437182<span
style="mso-spacerun:yes"> </span></span><span
style="font-size:8pt;line-height:115%;font-family:"Times
New Roman","serif""></span></p>
<p class="MsoNormal"><span
style="font-size:8pt;line-height:115%;font-family:"Times
New Roman","serif"">Is this normal?<span
style="mso-spacerun:yes">
</span>If no what is reason? What do I do?</span></p>
<p class="MsoNormal"
style="margin-bottom:0.0001pt;line-height:normal"><span
style="font-size:8pt;font-family:"Times New
Roman","serif"">Please help me</span></p>
<p class="MsoNormal"><span
style="font-size:8pt;line-height:115%;font-family:"Times
New Roman","serif"">Best Regards</span></p>
<br clear="all">
<br>
-- <br>
<div class="gmail_signature">Marzieh Ghoohestani<br>
PhD Student of Computational Nano Physics<br>
Nano Research Center, Department of Physics<br>
University of Technology, Isfahan, Iran<br>
</div>
</div>
</blockquote>
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