<div dir="ltr">No, it depends on smearing scheme used in the calculation! <br><br><div class="gmail_quote">2008/8/15 wangxinquan <span dir="ltr"><<a href="mailto:wangxinquan@tju.edu.cn">wangxinquan@tju.edu.cn</a>></span><br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div style="font-size: 10pt; font-family: verdana;">
<div><font size="2" face="Verdana">>Dear all,</font></div>
<div>
<div> Dear vega,</div>
<div>> Fermi energy is written in output whenever it is calculated, that is in</div>
<div>> any scf calculations for metals.</div>
<div> </div>
<div>>How about the case for semi-conductors like TiO2? When calculations for TiO2</div>
<div>>was achieved, I can't find any information about Fermi energy in my output </div>
<div>>file.</div>
<div> You could search the key words "<font face="Times New Roman">the Fermi energy is</font>" in your output file. It</div>
<div>mostly lies above the "total energy" term of the last BFGS
convergence.</div>
<div> </div>
<div>Best regards,</div>
<div>XQ Wang</div>
<div>
<div>
<div><font size="2" face="Verdana">
<p style="margin: 0cm 0cm 0pt;"><span lang="FR"><font size="3"><font face="Times New Roman">=====================================</font></font></span></p>
<p style="margin: 0cm 0cm 0pt;"><span lang="FR"><font size="3"><font face="Times New Roman">X.Q. Wang </font></font></span></p>
<p style="margin: 0cm 0cm 0pt;"><span lang="FR"><a href="mailto:wangxinquan@tju.edu.cn" target="_blank"><font size="3" face="Times New Roman">wangxinquan@tju.edu.cn</font></a></span></p>
<p style="margin: 0cm 0cm 0pt;"><font size="3"><font face="Times New Roman"><span lang="EN-US">School</span><span lang="EN-US"> of Chemical Engineering</span><span lang="EN-US"> and Technology</span></font></font></p>
<p style="margin: 0cm 0cm 0pt;"><font size="3"><font face="Times New Roman"><span lang="EN-US">Tianjin</span><span lang="EN-US">
University</span></font></font></p>
<p style="margin: 0cm 0cm 0pt;"><span lang="EN-US"><font size="3" face="Times New Roman">92 Weijin Road, Tianjin, P. R.
China</font></span></p>
<p style="margin: 0cm 0cm 0pt;"><span lang="EN-US"><font size="3" face="Times New Roman">tel:86-22-27890268, fax:
86-22-27892301</font></span></p>
<p style="margin: 0cm 0cm 0pt;"><span lang="EN-US"><font size="3" face="Times New Roman">=====================================</font></span></p></font></div></div></div></div></div>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a><br>
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