[Wien] mixer error

hossien rahnama h_rahnamay at yahoo.com
Thu Oct 7 17:42:47 CEST 2010


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 <L-marks at northwestern.edu>
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.
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