Dear Marks, Thank you for your reply.?There is not any errors with TOT in case.in2? for scf calculations.?After changing TOT to FERMI in case.in2 this error creat in scf calculations. Regards, Rahnama
Dr. H.A.Rahnamaye Aliabad Department of physics,Tarbiat Moallem university of Sabzevar, Sabzevar,Iran ________________________________ From: Laurence Marks <[email protected]> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Sent: Thu, October 7, 2010 6:31:07 PM Subject: Re: [Wien] mixer error You have not included enough information for anyone to guess. Try doing rm *bro* ; x mixer 2010/10/7 hossien rahnama <h_rahnamay at yahoo.com>: > Dear Wien2k users, > > Hi, According to user guide, for calculation of optical properties, I have > changed TOT to FERMI in Case.in2. but ?I have faced with following error in > scf calculations: > > ?>?? stop error > > > > mixer????????????? 0000000000403229? Unknown? ???Unknown? Unknown > > libc.so.6????????? 00002AE0DB000436? Unknown???? Unknown? Unknown > > mixer????????????? 0000000000403316? Unknown???? Unknown? Unknown > > mixer????????????? 00000000004102B8? Unknown???? Unknown? ???Unknown > > Image????????????? PC?????? ?????????Routine?? ??Line > Source > > forrtl: severe (174): SIGSEGV, segmentation fault occurred > > ?CORE? END > > LAPW2 - FERMI; weighs written > > ?LAPW1 END > > ?LAPW1 END > > ?LAPW1 END > > ?LAPW0 END > > > > > > ?Please it would be possible for you let me to know, how to solve this > problem? > > Best regards, > > Rahnama > > > Dr. H.A.Rahnamaye Aliabad > Department of physics,Tarbiat Moallem university of Sabzevar, > Sabzevar,Iran > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- Laurence Marks Department of Materials Science and Engineering MSE Rm 2036 Cook Hall 2220 N Campus Drive Northwestern University Evanston, IL 60208, USA Tel: (847) 491-3996 Fax: (847) 491-7820 email: L-marks at northwestern dot edu Web: www.numis.northwestern.edu Chair, Commission on Electron Crystallography of IUCR www.numis.northwestern.edu/ Electron crystallography is the branch of science that uses electron scattering and imaging to study the structure of matter. _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101007/486a2ae8/attachment.htm>
