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<DIV>Dear Marks,</DIV>
<DIV>Thank you for your reply. There is not any errors with <STRONG>TOT</STRONG> in case.in2 for scf calculations. After changing <STRONG>TOT</STRONG> to <STRONG>FERMI</STRONG> in case.in2 this error creat in scf calculations.</DIV>
<DIV>Regards,</DIV>
<DIV>Rahnama</DIV>
<DIV> </DIV>
<DIV> </DIV>Dr. H.A.Rahnamaye Aliabad<BR>Department of physics,Tarbiat Moallem university of Sabzevar,<BR>Sabzevar,Iran
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<B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Laurence Marks <L-marks@northwestern.edu><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at><BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Thu, October 7, 2010 6:31:07 PM<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> Re: [Wien] mixer error<BR></FONT><BR>You have not included enough information for anyone to guess. Try doing<BR>rm *bro* ; x mixer<BR><BR>2010/10/7 hossien rahnama <<A href="mailto:h_rahnamay@yahoo.com" ymailto="mailto:h_rahnamay@yahoo.com">h_rahnamay@yahoo.com</A>>:<BR>> Dear Wien2k users,<BR>><BR>> Hi, According to user guide, for calculation of optical properties, I have<BR>> changed TOT to FERMI in Case.in2. but I have faced with following error in<BR>> scf calculations:<BR>><BR>> > stop error<BR>><BR>><BR>><BR>>
mixer 0000000000403229 Unknown Unknown Unknown<BR>><BR>> <A href="http://libc.so/" target=_blank>libc.so</A>.6 00002AE0DB000436 Unknown Unknown Unknown<BR>><BR>> mixer 0000000000403316 Unknown Unknown Unknown<BR>><BR>> mixer 00000000004102B8 Unknown Unknown Unknown<BR>><BR>> Image PC Routine
Line<BR>> Source<BR>><BR>> forrtl: severe (174): SIGSEGV, segmentation fault occurred<BR>><BR>> CORE END<BR>><BR>> LAPW2 - FERMI; weighs written<BR>><BR>> LAPW1 END<BR>><BR>> LAPW1 END<BR>><BR>> LAPW1 END<BR>><BR>> LAPW0 END<BR>><BR>><BR>><BR>><BR>><BR>> Please it would be possible for you let me to know, how to solve this<BR>> problem?<BR>><BR>> Best regards,<BR>><BR>> Rahnama<BR>><BR>><BR>> Dr. H.A.Rahnamaye Aliabad<BR>> Department of physics,Tarbiat Moallem university of Sabzevar,<BR>> Sabzevar,Iran<BR>><BR>> _______________________________________________<BR>> Wien mailing list<BR>> <A href="mailto:Wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A><BR>>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<BR>><BR>><BR><BR><BR><BR>-- <BR>Laurence Marks<BR>Department of Materials Science and Engineering<BR>MSE Rm 2036 Cook Hall<BR>2220 N Campus Drive<BR>Northwestern University<BR>Evanston, IL 60208, USA<BR>Tel: (847) 491-3996 Fax: (847) 491-7820<BR>email: L-marks at northwestern dot edu<BR>Web: <A href="http://www.numis.northwestern.edu/" target=_blank>www.numis.northwestern.edu</A><BR>Chair, Commission on Electron Crystallography of IUCR<BR><A href="http://www.numis.northwestern.edu/" target=_blank>www.numis.northwestern.edu/</A><BR>Electron crystallography is the branch of science that uses electron<BR>scattering and imaging to study the structure of matter.<BR>_______________________________________________<BR>Wien mailing list<BR><A href="mailto:Wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A><BR><A
href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target=_blank>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</A><BR></DIV></DIV></div><br>
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