<html><body><p>Dear Khadija, </p><p>Did you try the FAQs, namely the link below? </p><p>http://susi.theochem.tuwien.ac.at/reg_user/faq/qtlb.html </p><p>HTH <br></p><p>Tomas </p><p><br></p><p>---------- Původní zpráva ----------<br>Od: khadija korichi <k0richi@yahoo.fr><br>Komu: wien@zeus.theochem.tuwien.ac.at <wien@zeus.theochem.tuwien.ac.at>, wien-request@zeus.theochem.tuwien.ac.at <wien-request@zeus.theochem.tuwien.ac.at><br>Datum: 11. 2. 2017 12:41:31<br>Předmět: [Wien] L2main - QTL-B Error</p><br><blockquote><div style="color:#000;background-color:#fff;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif;font-size:14px"><div><span>hello wien2k users </span></div><div><div style="padding-bottom:20px;border-left-width:1px;border-left-style:solid;border-left-color:transparent;padding-left:8px;color:rgb(34,34,34);font-family:arial,sans-serif;font-size:medium"><div style="margin-left:44px"><div style="font-size:12.8px;direction:ltr;margin:5px 15px 0px 0px;padding-bottom:5px"><div style="overflow:hidden"><div dir="ltr"><div><div><font size="4"> i need your help </font></div><div><div style="color:rgb(0,0,0);font-family:'helvetica neue','segoe ui',helvetica,arial,'lucida grande',sans-serif"><font size="4"><span style="font-family:'courier new';white-space:pre-wrap"> I am trying a spin polarized calculation for the Fe3Co/MgO/Fe3Co magnetic tunnel junction.</span><br></font></div></div><div><pre><pre style="color:rgb(0,0,0);font-family:'courier new';font-size:12.8px"><span style="font-size:large"> However, lapw2 showing in file.log , I am having difficulty with the convergence. Any recommendations?</span><br></pre><div><font color="#000000" face="courier new">korichi khadija, [08.02.17 23:34]
LAPW2 - FERMI; weighs written
L2main - QTL-B Error
L2main - QTL-B Error
L2main - QTL-B Error
L2main - QTL-B Error
L2main - QTL-B Error
L2main - QTL-B Error
cp: impossible d'évaluer « .in.tmp »: Aucun fichier ou dossier de ce type
> stop error
ERROR status in small_vol__-4.0
korichi khadija, [08.02.17 23:38]
grep cycle small.dayfile
cycle 1 (Wed Feb 8 23:26:24 CET 2017) (40/99 to go)
cycle 2 (Wed Feb 8 23:26:57 CET 2017) (39/98 to go)<br></font></div><div><font color="#000000" face="courier new">regards</font></div></pre></div></div></div></div></div></div></div><div style="font-size:12.8px;padding:0px;width:auto;border-bottom-left-radius:0px;border-bottom-right-radius:0px;border-right-width:0px;border-bottom-width:0px;border-left-width:0px;border-top-style:none;border-color:initial;margin:0px;color:rgb(34,34,34);font-family:arial,sans-serif;background-image:initial;background-attachment:initial;background-size:initial;background-origin:initial;background-clip:initial;background-position:initial;background-repeat:initial"><div style="border-top-width:0px;padding:0px"><div style="clear:both;margin:0px 5px 0px 0px;padding:12px 0px 0px 8px;border-top-width:1px;border-top-style:solid;border-top-color:rgb(208,208,208)"><div dir="ltr"><table style="border-collapse:collapse"><tbody><tr></tr></tbody></table></div></div></div></div></div></div>_______________________________________________
<br>Wien mailing list
<br>Wien@zeus.theochem.tuwien.ac.at
<br>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
<br>SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
<br></blockquote></body></html>