<div><span style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.727272033691406px;background-color:rgb(255,255,255)">Dear Muhammad Zafar:</span></div>               grep "End final coordinates"  *.out<br>

<br><div class="gmail_quote">On Thu, Jun 6, 2013 at 5:44 PM, zafar rasheed <span dir="ltr"><<a href="mailto:zafartariq2003@yahoo.com" target="_blank">zafartariq2003@yahoo.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><table cellspacing="0" cellpadding="0" border="0"><tbody><tr><td valign="top" style="font:inherit">Dear All<br><br>I perform 'vc-relax ' calculation of 8 atoms zinc blende structure at fixed lattice parameter.<br>


after calculation I get new positions and cell volume.<br><br>My question is that which lattice parameter should I use for the next calculations.<br><br>Actual given in input of vc-relax or derive from the relaxed structure (from last volume)<br>


<br>Muhammad Zafar<br>
PhD Scholar<br>
Department of Physics<br>
The Islamia University of Bahawalpur,Pakistan</td></tr></tbody></table><br>_______________________________________________<br>
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Hui Wang<br>School of physics, Fudan University, Shanghai, China