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There is nothing wrong in the result. It’s your expectations that are wrong. Divide your expected volume by the value given the code and explain why … SB<br>
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<div>Stefano Baroni, Trieste -- swift message written and sent on the go</div>
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<blockquote type="cite">Il giorno 22 feb 2023, alle ore 12:37, NAIMI SALMA <salma_naimi@um5.ac.ma> ha scritto:<br>
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<span class="x_elementToProof ContentPasted0" style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0);background-color:rgb(255,255,255)">I used ev.x tool to get the equation of state of my zincblende material by using an input
file that contains a column of lattice parameters and a second column of the corresponding total energies.</span></div>
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In the obtained output file the equilibruim lattice parameter a0 = 6.09174 Ang and the equilibruim volume V0 = 56.51 A^3 . And that`s wrong because the equilibruim volume should be V0 = 6.09174^3 = 226.060184202 A^3 .</div>
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You can find attached the output file of my Birch-Murnaghen equation and the way that I followed to respond to the questions when running ev.x.<br class="ContentPasted0">
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Can you clarify my doubts, please! Thank you<br class="ContentPasted0">
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<div class="x_elementToProof x_ContentPasted0 x_ContentPasted1 x_ContentPasted2 x_ContentPasted3 ContentPasted0" style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0);background-color:rgb(255,255,255)">
Salma NAIMI</div>
<span class="x_elementToProof x_ContentPasted0 x_ContentPasted1 x_ContentPasted2 x_ContentPasted3 ContentPasted0" style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0);background-color:rgb(255,255,255)">PhD student-Mohamed 5
University-Rabat</span><br>
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<div><Screenshot from 2023-02-22 12-14-27.png></div>
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