<div dir="ltr">Is that possible to say just a ratio of the calculation done?<div><br></div><div>is this calculations performed in k-point parallel mode?</div><div><br></div><div>Are the number of used cores are 6?</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Sun, Sep 27, 2015 at 11:15 PM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Maybe. We can only make suggestions for you to test.</div><div class="gmail_extra"><div><div class="h5"><br><div class="gmail_quote">On Sun, Sep 27, 2015 at 9:00 AM, Marzieh Gh <span dir="ltr"><<a href="mailto:mghoohestani18@gmail.com" target="_blank">mghoohestani18@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<div dir="ltr">
<p class="MsoNormal" style="line-height:normal"><span>Dear <a href="http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Laurence+Marks%22" target="_blank">
<span style="color:windowtext;text-decoration:none"><span><span>Laurence Marks</span></span></span></a></span></p>
<p class="MsoNormal" style="line-height:normal"><span><a href="http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Laurence+Marks%22" target="_blank"><span style="color:windowtext;text-decoration:none"><span><span><br>
</span></span></span></a></span></p>
<p class="MsoNormal"><span><span style="font-family:"Times New Roman","serif";color:rgb(34,34,34)" lang="EN">I</span></span><span><span style="font-family:"Times New Roman","serif";color:rgb(34,34,34)" lang="EN">
<span></span></span><span><span style="font-family:"Times New Roman","serif";color:rgb(34,34,34)" lang="EN">did not</span></span></span><span><span style="font-family:"Times New Roman","serif";color:rgb(34,34,34)" lang="EN">
<span></span></span><span><span style="font-family:"Times New Roman","serif";color:rgb(34,34,34)" lang="EN">clearly</span></span></span><span><span style="font-family:"Times New Roman","serif";color:rgb(34,34,34)" lang="EN">
<span></span></span><span><span style="font-family:"Times New Roman","serif";color:rgb(34,34,34)" lang="EN">understand the</span></span></span><span><span style="font-family:"Times New Roman","serif";color:rgb(34,34,34)" lang="EN">
<span></span></span><span><span style="font-family:"Times New Roman","serif";color:rgb(34,34,34)" lang="EN">cause of the problem</span></span>.
</span><span style="font-size:10pt;line-height:115%;font-family:"Times New Roman","serif"">If put 4 spaces before the 496 in case.in2, would solve my problem<span>
</span>?</span></p><span><font color="#888888">
<br clear="all">
<br>
-- <br>
<div>Marzieh Ghoohestani<br>
PhD Student of Computational Nano Physics<br>
Nano Research Center, Department of Physics<br>
University of Technology, Isfahan, Iran<br>
<br>
</div>
</font></span></div>
</div>
</blockquote></div><br><br clear="all"><div><br></div></div></div><span class="HOEnZb"><font color="#888888">-- <br><div><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a><div>Corrosion in 4D: <a href="http://MURI4D.numis.northwestern.edu" target="_blank">MURI4D.numis.northwestern.edu</a><br>Co-Editor, Acta Cryst A<br>"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>Albert Szent-Gyorgi</div></div></div>
</font></span></div>
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