<div dir="ltr">From: mouhamed mahdi <<a href="mailto:mouh2009@gmail.com">mouh2009@gmail.com</a>><br>To: <a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a><br>Date: Wed, 18 May 2011 10:36:40 +0100<br>
Subject: error In source file qmix7.F<br>Dear Prof. Perer Blaha,<br><br><pre><font size="2"><font size="4">I want to calculat the MMT of a Supercell for that<br>I run an SCF calculation<br>after 17 cycle i got this error:<br>
<br>stop error<br><br><br> In source file qmix7.F, at line number 258<br> File name = Fe3ML-Ag3ML.broyd2009 unformatted, sequential access record = 1<br>PGFIO-F-219/unformatted read/unit=32/attempt to read/write past end of record.<br>
<br><br><br> CORE END<br> CORE END<br> LAPW2 END<br> LAPW2 END<br> LAPW1 END<br> LAPW1 END<br> LAPW0 END<br>in cycle 17 ETEST: .0003265000000000 CTEST: .0058471<br><br>PLEAS what can I do to this error<br><br></font></font><font size="4">Thanks</font><font size="2"><font size="4"><br>
<br><br>mahdi<br> LPA algeria</font></font></pre></div>