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<DIV dir=ltr><FONT face=Arial color=#000000 size=3>Maybe someone has gone through the routine already and can help. We run Wien2k on an Intel cluster under a sun gridengine. Every job has to be submitted. </FONT></DIV>
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<DIV dir=ltr><FONT face=Arial>How would we set up a script/environment for such a case? The main problem seems to be the self-consistency cycle, since everything else can be done via the web interface.</FONT></DIV>
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<DIV dir=ltr><FONT face=Arial>Thanks for your help, Mario</FONT></DIV>
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<DIV><FONT face=Arial size=2>Mario Gattobigio</FONT></DIV>
<DIV><FONT face=Arial size=2>Surface Science Research Centre</FONT></DIV>
<DIV><FONT face=Arial size=2>University of Liverpool email:m.gattobigio@liverpool.ac.uk</FONT></DIV>
<DIV><FONT face=Arial size=2>Liverpool L69 3BX </FONT></DIV></DIV></BODY></HTML>