Dear Prof. *Peter Blaha* >Does the error occur only after several scf cycles? yes about 17 >Always after the same number of cycles ?
no i think ,,,, >Did you modify case.inm in some strange way ? No >Also: ls -als *.broy* $ ls -als *.broy* 4 -rw-rw-r--. 1 chemam chemam 40 mai 29 13:17 Ag3ML-Fe3ML.broyd1 0 -rw-rw-r--. 1 chemam chemam 0 mai 29 12:07 Ag3ML-Fe3ML.broyd2 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:21 Ag3ML-Fe3ML.broyd2005 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:25 Ag3ML-Fe3ML.broyd2006 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:29 Ag3ML-Fe3ML.broyd2007 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:32 Ag3ML-Fe3ML.broyd2008 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:36 Ag3ML-Fe3ML.broyd2009 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:40 Ag3ML-Fe3ML.broyd2010 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:44 Ag3ML-Fe3ML.broyd2011 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:47 Ag3ML-Fe3ML.broyd2012 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:51 Ag3ML-Fe3ML.broyd2013 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:55 Ag3ML-Fe3ML.broyd2014 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:58 Ag3ML-Fe3ML.broyd2015 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:02 Ag3ML-Fe3ML.broyd2016 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:06 Ag3ML-Fe3ML.broyd2017 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:09 Ag3ML-Fe3ML.broyd2018 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:13 Ag3ML-Fe3ML.broyd2019 4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:17 Ag3ML-Fe3ML.broyd2020 thank you -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110529/4cfac753/attachment.htm>
