<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Hi pwscf users,</DIV>
<DIV>My system is consists of boron, nitrogen and carbon, when I want to get the best structure for my systems, I get different results from mp-smearing and mv-smearing, you suppose I have a, b and c structures. When I used mv -smearing I get this trend for stability a>b>c but, from mp I get this trend c>b>a why? which of them is true? </DIV>
<DIV>thanks in advance.<BR><BR>Farzad Molani,<BR>Ph.D Student,<BR>Department of Theoretical Physical Chemistry,<BR>K. N. Toosi University of Technology,<BR>Tehran, Iran.<BR>Tel.: 009891 4442 3308<BR>Tel.: 009821 2306 4280 <BR>Fax: 009821 2285 3650 <BR>Web: http://www.chem.kntu.ac.ir/~sjalili:/</DIV></td></tr></table>