<DIV><FONT face=Arial size=2> <DIV>Hello</DIV> <DIV>Dear all:</DIV> <DIV> I use from Wien2k 6.4. I want to obtain position of adsorption of atom on a surface.I do it in two way :1)I move atom towards surface step by step and I plot total energy</DIV> <DIV>versus distance from surface and I obtain point of min energy and 2)I relax position of atom by MINI, but these two point are not the same.on the other hand ,point that obtained by Mini has not lowest energy. I want to know reason of this problem .thank you very much for your attention.</DIV> <DIV> <DIV>Best Regards.</DIV> <DIV>Nasser Zare Dehnavi</DIV></DIV></FONT></DIV><p> 
<hr size=1><a href="
http://us.rd.yahoo.com/evt=49981/*http://advision.webevents.yahoo.com/mailbeta/features_spam.html">Sucker-punch spam</a> with award-winning protection.<br> Try the <a href="
http://us.rd.yahoo.com/evt=49981/*http://advision.webevents.yahoo.com/mailbeta/features_spam.html">free Yahoo! Mail Beta.</a>