<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><div id="yiv1464229626"><table cellspacing="0" cellpadding="0" border="0" id="yiv1464229626bodyDrftID" class="yiv1464229626"><tbody><tr><td id="yiv1464229626drftMsgContent" style="font:inherit;font-family:arial;font-size:10pt;"><div><font face="arial" size="2">Hi, Everybody,</font></div><div><font face="arial" size="2"><br></font></div><div><font face="arial" size="2">When I did the calculation using wien2k, it is stoped. The part of dayfile is as follow.</font></div><div><font face="arial" size="2">******</font></div><div><font face="arial" size="2">&nbsp; &nbsp; cycle 40 <span class="yiv1464229626Apple-tab-span" style="white-space:pre;">        </span>(2013??01??17???????18:40:49 CST) <span class="yiv1464229626Apple-tab-span" style="white-space:pre;">        </span>(1/60 to go)</font></div><div><font face="arial" size="2"><br></font></div><div><font face="arial"
 size="2">&gt; &nbsp; lapw0 <span class="yiv1464229626Apple-tab-span" style="white-space:pre;">        </span>(18:40:49) 71.8u 0.8s 1:12.92 99.6% 0+0k 0+66936io 0pf+0w</font></div><div><font face="arial" size="2">&gt;
 &nbsp; lapw1 &nbsp;-c &nbsp; <span class="yiv1464229626Apple-tab-span" style="white-space:pre;">        </span>(18:42:02) 1871.0u 4.9s 31:22.43 99.6% 0+0k 0+930176io 0pf+0w</font></div><div><font face="arial" size="2">&gt; &nbsp; lapw2 -c &nbsp; &nbsp;<span class="yiv1464229626Apple-tab-span" style="white-space:pre;">        </span>(19:13:25) &nbsp;WARNING: EF not accurate, new emin,emax,NE-min,NE-max -0.105967616098109 &nbsp; &nbsp;&nbsp;</font></div><div><font face="arial" size="2">&nbsp;-0.105967609048475 &nbsp; &nbsp; &nbsp; &nbsp;139.499982741682 &nbsp; &nbsp; &nbsp; &nbsp;139.500047022659 &nbsp; &nbsp;&nbsp;</font></div><div><font face="arial" size="2">42.6u 3.2s 0:46.05 99.6% 0+0k 0+95960io 0pf+0w</font></div><div><font face="arial" size="2">&gt; &nbsp; lcore<span class="yiv1464229626Apple-tab-span" style="white-space:pre;">        </span>(19:14:11) 0.2u 0.0s 0:00.30 96.6% 0+0k 0+2528io 0pf+0w</font></div><div><font face="arial" size="2">&gt; &nbsp; mixer<span
 class="yiv1464229626Apple-tab-span" style="white-space:pre;">
        </span>(19:14:11) 1.8u 0.7s 0:02.58 99.2% 0+0k 0+102440io 0pf+0w</font></div><div><font face="arial" size="2">:ENERGY convergence: &nbsp;0 0.001 .0234637450000000</font></div><div><font face="arial" size="2">:CHARGE convergence: &nbsp;0 0.0000 .9871936</font></div><div><font face="arial" size="2">ec cc and fc_conv 0 1 1</font></div><div><font face="arial" size="2"><br></font></div><div><font face="arial" size="2">&gt; &nbsp; energy in SCF NOT CONVERGED</font></div><div><font face="arial" size="2"><br></font></div><div><font face="arial" size="2">&gt; &nbsp; stop</font></div><div><font face="arial" size="2">******</font><span style="font-family:arial;font-size:small;">*****</span><span style="font-family:arial;font-size:small;">*****</span><span style="font-family:arial;font-size:small;">*****</span><span style="font-family:arial;font-size:small;">*****</span><span style="font-family:arial;font-size:small;">*****</span></div><div><font face="arial"
 size="2"><br></font></div><div><font face="arial" size="2">Can you tell me what is wrong?</font></div><div><font face="arial" size="2"><br></font></div><div><font face="arial" size="2">Thank you in advance!</font></div><div style="font-family:arial;font-size:10pt;"><br></div></td></tr></tbody></table></div></td></tr></table>