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<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. </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"></SPAN><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></DIV><p><br><hr size=1><b>Do You Yahoo!?</b><br>
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