From: mouhamed mahdi <mouh2...@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 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110518/813fb174/attachment.htm>