<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><span style="color:rgb(34,34,34)">-i 120</span>  <br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, May 30, 2019 at 7:56 PM Indranil mal <<a href="mailto:indranil.mal@gmail.com">indranil.mal@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Dear users and respected sir, <br></div><div>                      I am trying to calculate band structure of TiC basic unit cell system using mbj potential with a pc with serial compilation. However, every time the SCF iteration stops at 40 cycle then I am compiling "run_lapw    -NI  -i120" still in the next step it stops after 4o iterations. <br></div><div><br></div><div>Please help</div><div><br></div><div><br></div><div>Thanking you <br></div><div><br></div><div>Indranil<br> </div></div>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu</a><div>Corrosion in 4D: <a href="http://www.numis.northwestern.edu/MURI" target="_blank">www.numis.northwestern.edu/MURI</a><br>Co-Editor, Acta Cryst A<br>"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>Albert Szent-Gyorgi</div></div></div>