<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Dear All<br> For Zn (d=10) the d orbital is fully occupied. I want to change the reference to d=9. Which parameter should be modified?<br>If then I want to do LDA+U calculation,should I also modify the <br><pre><i><i>occ_loc=5 in tabd.f90 and set_hubbard.f90<br> thanks a lot<br></i></i></pre><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>