<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Hi.</DIV>
<DIV>There are some resons in this field. I have faced to the same problem during my calculations, and I solved it by decreasing the difference between the Muffin-Tin radiuses in the case.struct.<BR><BR>--- On <B>Sun, 6/6/10, Dr Aruna Chatterjee <I><aruna_c@vsnl.net></I></B> wrote:<BR></DIV>
<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: rgb(16,16,255) 2px solid"><BR>From: Dr Aruna Chatterjee <aruna_c@vsnl.net><BR>Subject: [Wien] lapw1 ends.'select' error<BR>To: wien@zeus.theochem.tuwien.ac.at<BR>Date: Sunday, June 6, 2010, 3:26 PM<BR><BR>
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<DIV><FONT face=Arial size=2>Dear Wien users,</FONT></DIV>
<DIV><FONT face=Arial size=2> I am working with a transition element oxide. After completing the initialisation when the scf cycle is started the execution stops after lapw0 ends. In the error file it is stated</FONT></DIV>
<DIV><FONT face=Arial size=2> 'Select error' : no energy limit found for l=0</FONT></DIV>
<DIV><FONT face=Arial size=2> It will be appreciated if any one can suggest to solve this problem.</FONT></DIV>
<DIV><FONT face=Arial size=2> </FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2> Arun Kumar Chatterjee</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV></DIV><BR>-----Inline Attachment Follows-----<BR><BR>
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