[Wien] error In source file qmix7.F

mouhamed mahdi mouh2009 at gmail.com
Wed May 18 12:24:51 CEST 2011


From: mouhamed mahdi <mouh2009 at gmail.com>
To: 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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