[Wien] error In source file qmix7.F

[Peter Blaha]

Very unusual !

Do you have enough disk space ?

Otherwise:

rm *.broy*
x mixer
cat case.scfm >> case.scf
runsp ....

Am 18.05.2011 12:24, schrieb mouhamed mahdi:
> From: mouhamed mahdi <mouh2009 at gmail.com <mailto:mouh2009 at gmail.com>>
> To: wien at zeus.theochem.tuwien.ac.at <mailto:wien at zeus.theochem.tuwien.ac.at>
> Date: Wed, 18 May 2011 10:36:40 +0100
> Subject: error In source file qmix7.F
> Dear Prof. Perer Blaha,
>
> I want to calculat the MMT of a Supercell  for that
> I run an SCF calculation
> after 17 cycle i got this error:
>
>
> stop error
>
>
>   In source file qmix7.F, at line number 258
>   File name = Fe3ML-Ag3ML.broyd2009    unformatted, sequential access   record = 1
> PGFIO-F-219/unformatted read/unit=32/attempt to read/write past end of record.
>
>
>
>
>   CORE  END
>   CORE  END
>   LAPW2 END
>   LAPW2 END
>   LAPW1 END
>   LAPW1 END
>   LAPW0 END
> in cycle 17    ETEST: .0003265000000000   CTEST: .0058471
>
> PLEAS what can I do to this error
>
> Thanks
>
>
>
> mahdi
>   LPA algeria
>
>
>
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> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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