<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> mohsen modaresi <modaresi.mohsen@gmail.com><br><b><span style="font-weight: bold;"> </span></b></font><br>>Can Q. E calculate Young's Modulus? <br><br>No, no ab initio program can calculate E directly. You have to calculate elastic constants and then you can easily get the Young modulus.<br>See papers: Mehl et al., PhysRev.B 41, 10311, 1990 and Mehl et al, in Intermetallic Compounds: Principles and Practice, vol.1, Principles, J.H. Wesbrook and R.L. Fleischer, eds, John Wiley and Sons (London, 1995), ch.9
(pp. 195-210). Search <br><span style="visibility: visible;" id="main"><span style="visibility: visible;" id="search"><span class="f"><cite><span>cst-<a target="_blank" href="http://www.nrl.navy.mil/users/mehl/papers/">www.nrl.navy.mil/users/mehl/papers/</a></span><b>cij452</b>.ps.gz </cite></span></span></span>via google.<br><br>Bests,<br>Eyvaz.<br><br> -------------------------------------------------------------------<br>Prof. Eyvaz Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <br>isaev@ifm.liu.se, eyvaz_isaev@yahoo.com<div><br></div>
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