<div dir="ltr"><div><div class="gmail_signature"><div dir="ltr"><div dir="ltr"><div><p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:justify"><span style="font-size:12pt;font-family:'Times New Roman',serif">Dear All,</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:justify"><span style="font-size:12pt;font-family:'Times New Roman',serif">I want to
calculate elastic constants using Quantum Espresso software.</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:justify"><span style="font-size:12pt;font-family:'Times New Roman',serif">Can anyone
help me to know how to introduce strain in the crystal structure ,Is it by
changing the lattice constant of the unit cell and then optimizing the
structure or is it to change cell parameters and then optimizing the structure?</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:justify"><span style="font-size:12pt;font-family:'Times New Roman',serif">Also, I
want to calculate third order elastic constant using Quantum Espresso. Can
 any one tells me how to calculate third order elastic constant using
Quantum Espresso?</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:justify"><span style="font-size:12pt;font-family:'Times New Roman',serif"> </span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:justify"><span style="font-size:12pt;font-family:'Times New Roman',serif">Thanks in
advance </span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:justify"><span style="font-size:12pt;font-family:'Times New Roman',serif"> </span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:justify"><span style="font-size:12pt;font-family:'Times New Roman',serif">Regards</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:justify"><span style="font-size:12pt;font-family:'Times New Roman',serif;background-image:initial;background-repeat:initial">Priya</span><span style="font-size:12pt;font-family:'Times New Roman',serif"></span></p>

<p class="MsoNormal" style="text-align:justify"><span style="font-family:'Times New Roman',serif"> </span></p></div></div></div></div>
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