<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><br>Dear all<br> I have one question :<br>I don,t know how LDA underestimate the binding energy of 3d state in ZnO that give rise to overestimation of hybridization with p orbitals. Does it means that (like most cases) LDA gives stronger bond between Zn and O atom.<br>Thanks alot<br>Ali Kazempour<br>
Physics department, Isfahan University of Technology<br>
84156 Isfahan, Iran. Tel-1: +98 311 391 3733<br>
Fax: +98 311 391 2376 Tel-2: +98 311 391 2375</td></tr></table><br>