i want this by quasi harmonic approximation<br><br><div class="gmail_quote">On Tue, Aug 23, 2011 at 12:07 PM, Stefano Baroni <span dir="ltr"><<a href="mailto:baroni@sissa.it">baroni@sissa.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div style="word-wrap:break-word">using the quasi-harmonic approximation, or constant-pressure ab-initio molecular dynamics (*) - SB<div><br></div><div>(*) if you want a more articulated answer, may I expect a more articulated and well-thought question?<br>
<div><div><div></div><div class="h5"><div><br></div><div>On Aug 23, 2011, at 1:46 PM, bhabya sahoo wrote:</div><div><br></div><br></div></div><blockquote type="cite"><div><div></div><div class="h5">how can one calculate bulk modulus and elastic constants with tempertaure<div>
by quantum espresso code</div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div>b d sahoo reserch scholar</div>
<div><br></div><div> barc mumbai</div></div></div>
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