<p>Are youbusibg mpi versions?</p>
<p>---------------------------<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a> 1-847-491-3996<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi<br>
</p>
<div class="gmail_quote">On Mar 20, 2012 3:40 AM, "Masood Yousaf" <<a href="mailto:masoodyousaf1@yahoo.com">masoodyousaf1@yahoo.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div><div style="font-size:12pt;font-family:times new roman,new york,times,serif"><div>Respected wien2k users</div><div><br></div><div>I am facing an unsual problem while running different oxides material on wien2k with MBJ. But some of the oxides do not go further from LAPW2 -VRESP. It keeps on running but the process never ends . Similar oxides with similar structure are successfully executed with MBJ .I tried to adjust the different parameters but the first SCF cycle with MBJ keeps on running at LAPW2 . Can anyone Please help me and guide me what should I do to resolve this problem .</div>
<div><br></div><div>Very hopeful that someone will come out with a solution to my problem</div><div><br></div></div></div><br>_______________________________________________<br>
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