<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><span>Thank you for your responce.<br></span></div><div><span>It happens at first iteration also When I choose the reduction to 5% then the file is executed successfully with the same parameters .</span></div><div><span>Kindly suggest me what to do ?</span></div><div><br><span></span></div><div><span>Ragards <br></span></div><div><span>Masood<br></span></div><div><br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; margin-top: 5px; padding-left: 5px;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font face="Arial" size="2"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> "tran@theochem.tuwien.ac.at" <tran@theochem.tuwien.ac.at><br>
<b><span style="font-weight: bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight: bold;">Sent:</span></b> Thursday, May 10, 2012 9:52 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Wien] Error in Lapw1 using mBJ<br> </font> </div> <br>
When does it occur? Directly at the 1st iteration or later? <br><br>On Thu, 10 May 2012, Masood Yousaf wrote:<br><br>> Dear Users<br>> <br>> I am having problem in executing a file with mBJ. Fallowing error comes in Lapw1. Kindly guide me how to correct this error<br>> <br>> Error in LAPW1<br>> 'SELECT' - no energy limits found for L= 0 <br>> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br>> <br>> Thank you all<br>> Masood<br>> <br>_______________________________________________<br>Wien mailing list<br><a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a
href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br><br><br> </div> </div> </blockquote></div> </div></body></html>