<div dir="ltr"><div>Dear Prof. <strong>Peter Blaha</strong> </div>
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<div>>Does the error occur only after several scf cycles?</div>
<div>yes about 17 <br>>Always after the same number of cycles ?</div>
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<div>no i think ,,,,</div>
<div>>Did you modify case.inm in some strange way ?</div>
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<div>No </div>
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<div>>Also: ls -als *.broy*</div>
<div><br>$ ls -als *.broy*<br> 4 -rw-rw-r--. 1 chemam chemam 40 mai 29 13:17 Ag3ML-Fe3ML.broyd1<br> 0 -rw-rw-r--. 1 chemam chemam 0 mai 29 12:07 Ag3ML-Fe3ML.broyd2<br>4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:21 Ag3ML-Fe3ML.broyd2005<br>
4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:25 Ag3ML-Fe3ML.broyd2006<br>4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:29 Ag3ML-Fe3ML.broyd2007<br>4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:32 Ag3ML-Fe3ML.broyd2008<br>
4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:36 Ag3ML-Fe3ML.broyd2009<br>4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:40 Ag3ML-Fe3ML.broyd2010<br>4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:44 Ag3ML-Fe3ML.broyd2011<br>
4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:47 Ag3ML-Fe3ML.broyd2012<br>4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:51 Ag3ML-Fe3ML.broyd2013<br>4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:55 Ag3ML-Fe3ML.broyd2014<br>
4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 12:58 Ag3ML-Fe3ML.broyd2015<br>4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:02 Ag3ML-Fe3ML.broyd2016<br>4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:06 Ag3ML-Fe3ML.broyd2017<br>
4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:09 Ag3ML-Fe3ML.broyd2018<br>4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:13 Ag3ML-Fe3ML.broyd2019<br>4832 -rw-rw-r--. 1 chemam chemam 4944400 mai 29 13:17 Ag3ML-Fe3ML.broyd2020</div>
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<div>thank you</div>
<div><br><br> <br></div></div>