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<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr" dir=ltr class=MsoNormal>Dear Wien2k users,</P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr" dir=ltr class=MsoNormal>Hi, According to user guide, for calculation of optical properties, I have changed TOT to FERMI in Case.in2. but <SPAN style="mso-spacerun: yes"> </SPAN>I have faced with following error in scf calculations:</P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="mso-spacerun: yes"> </SPAN><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt">><SPAN style="mso-spacerun: yes"> </SPAN>stop error<?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt"><o:p> </o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt">mixer<SPAN style="mso-spacerun: yes"> </SPAN>0000000000403229<SPAN style="mso-spacerun: yes"> </SPAN>Unknown<SPAN style="mso-spacerun: yes"> </SPAN><SPAN style="mso-spacerun: yes"> </SPAN><SPAN style="mso-spacerun: yes"> </SPAN>Unknown<SPAN style="mso-spacerun: yes"> </SPAN>Unknown<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt">libc.so.6<SPAN style="mso-spacerun: yes"> </SPAN>00002AE0DB000436<SPAN style="mso-spacerun: yes"> </SPAN>Unknown<SPAN style="mso-spacerun: yes"> </SPAN>Unknown<SPAN style="mso-spacerun: yes"> </SPAN>Unknown<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt">mixer<SPAN style="mso-spacerun: yes"> </SPAN>0000000000403316<SPAN style="mso-spacerun: yes"> </SPAN>Unknown<SPAN style="mso-spacerun: yes"> </SPAN>Unknown<SPAN style="mso-spacerun: yes"> </SPAN>Unknown<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt">mixer<SPAN style="mso-spacerun: yes"> </SPAN>00000000004102B8<SPAN style="mso-spacerun: yes"> </SPAN>Unknown<SPAN style="mso-spacerun: yes"> </SPAN>Unknown<SPAN style="mso-spacerun: yes"> </SPAN><SPAN style="mso-spacerun: yes"> </SPAN>Unknown<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt">Image<SPAN style="mso-spacerun: yes"> </SPAN>PC<SPAN style="mso-spacerun: yes"> </SPAN><SPAN style="mso-spacerun: yes"> </SPAN>Routine<SPAN style="mso-spacerun: yes"> </SPAN><SPAN style="mso-spacerun: yes"> </SPAN>Line<SPAN style="mso-spacerun: yes"> </SPAN>Source<SPAN style="mso-spacerun: yes"> </SPAN><o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt">forrtl: severe (174): SIGSEGV, segmentation fault occurred<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt"><SPAN style="mso-spacerun: yes"> </SPAN>CORE<SPAN style="mso-spacerun: yes"> </SPAN>END<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt">LAPW2 - FERMI; weighs written<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt"><SPAN style="mso-spacerun: yes"> </SPAN>LAPW1 END<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt"><SPAN style="mso-spacerun: yes"> </SPAN>LAPW1 END<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt"><SPAN style="mso-spacerun: yes"> </SPAN>LAPW1 END<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt"><SPAN style="mso-spacerun: yes"> </SPAN>LAPW0 END<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt"><o:p> </o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr; mso-layout-grid-align: none" dir=ltr class=MsoNormal><SPAN style="FONT-FAMILY: 'Courier New'; FONT-SIZE: 10pt"><o:p> </o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr" dir=ltr class=MsoNormal><SPAN style="mso-bidi-language: FA"><SPAN style="mso-spacerun: yes"> </SPAN>Please it would be possible for you let me to know, how to solve this problem?<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr" dir=ltr class=MsoNormal><SPAN style="mso-bidi-language: FA">Best regards,<o:p></o:p></SPAN></P>
<P style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; unicode-bidi: embed; DIRECTION: ltr" dir=ltr class=MsoNormal><SPAN style="mso-bidi-language: FA">Rahnama<o:p></o:p></SPAN></P><BR> </DIV>Dr. H.A.Rahnamaye Aliabad<BR>Department of physics,Tarbiat Moallem university of Sabzevar,<BR>Sabzevar,Iran
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