<DIV>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE: 9pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt">Dear everyone:<?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE: 9pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt"> I use wien97 to calculate the antiferromagnetic property(because the ferromagnetic property was calculated by wien97 package), I want to know if the ferromagnetic or the antiferromagnetic property is the ground state. There are two magnetic atoms Fe in one unit cell, I set the magnetic moment of the magnetic atoms Fe reversed, and the magnetic moment of all no magnetic atoms such as Cl, N, C and H atoms to zero in case.inst,but when I perform initit_lapw, there always make a mistake at "x dstart ", the error is as following:<o:p></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE: 9pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt">******************************************************************<BR>apparent state: unit 81 named case.rsp<BR>last format:(43X, I5)<BR>lately reading sequential formatted external IO<BR>Abort(core dumped)<BR>*******************************************************************<o:p></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE: 9pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt">but I don't find sequential format in case.rsp,<o:p></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE: 9pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt">when I leave the case.inst not change to perform initit_lapw ,there is the same error. I have attached the case.struct and case.inst for ferromagnetic and antiferromagnetic in the affix.<o:p></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align=left><SPAN lang=EN-US style="FONT-SIZE: 9pt; COLOR: black; FONT-FAMILY: Arial; mso-font-kerning: 0pt">Who can tell me what's the question? <o:p></o:p></SPAN></P></DIV><p><br><hr size=1><b>Do You Yahoo!?</b><br>
<a href="http://music.yisou.com" target=blank>150万曲MP3疯狂搜，带您闯入音乐殿堂</a><br><a href="http://image.yisou.com" target=blank>美女明星应有尽有，搜遍美图、艳图和酷图</a><br>
<a href="http://cn.rd.yahoo.com/mail_cn/tag/1g/*http://cn.mail.yahoo.com/event/mail_1g/" target=blank>1G就是1000兆，雅虎电邮自助扩容！</a>