See <span class="Apple-style-span" style="font-family: Arial; font-size: 12px; ">J. Ciston, A. Subramanian, D. Kienzle, L. D. Marks, Surface Science 604 (2010) 155. and the references therein,</span><br><br><div class="gmail_quote">
2010/5/6 Piyush Dua <span dir="ltr"><<a href="http://piyushdua.ph">piyushdua.ph</a>@<a href="http://rediffmail.com">rediffmail.com</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Dear Wien users,<br>
<br>
I am using PBE-Fock-alpha, in which alpha=0.25 corresponds to PBE0.<br>
If I increase alpha, in certain cases, I use to get better results.<br>
For example the band-gap is better.<br>
<br>
I would like to know, upto what limit can one extend the alpha and what will be the physical explanation of increasing alpha?<br>
<br>
Thanking you in anticipation.<br>
<br>
With regards,<br><font color="#888888">
<br>
Piyush Dua<br><table border="0" width="644" height="57" cellspacing="0" cellpadding="0" style="font-family:Verdana;font-size:11px;line-height:15px"><tbody><tr><td><a href="http://sigads.rediff.com/RealMedia/ads/click_nx.ads/www.rediffmail.com/signatureline.htm@Middle?" target="_blank"><img></a></td>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Laurence Marks<br>Department of Materials Science and Engineering<br>MSE Rm 2036 Cook Hall<br>2220 N Campus Drive<br>Northwestern University<br>Evanston, IL 60208, USA<br>
Tel: (847) 491-3996 Fax: (847) 491-7820<br>email: L-marks at northwestern dot edu<br>Web: <a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a><br>Chair, Commission on Electron Crystallography of IUCR<br>
<a href="http://www.numis.northwestern.edu/">www.numis.northwestern.edu/</a><br>Electron crystallography is the branch of science that uses electron scattering and imaging to study the structure of matter.<br>