<html><body><p>Dear Sikander,</p><p>Could you send me your case.struct file in an attachment and the parameters of run<br></p><p>(Rmt x Kmax, Gmax, lmax, k-points in 1st Brillouin zone)?</p><p>Tomas</p><br><blockquote><div><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:18pt"><div><span>Dear Tomas Kana</span></div><div style="color: rgb(0, 0, 0); font-size: 24px; font-family: 'times new roman', 'new york', times, serif; font-style: normal; background-color: transparent;"><span>Thanks for the reply, no when i give the command</span></div><div style="color: rgb(0, 0, 0); font-size: 24px; font-family: 'times new roman', 'new york', times, serif; font-style: normal; background-color: transparent;"><span>run_lapw -p -ec 0.00001</span></div><div style="color: rgb(0, 0, 0); font-size: 24px; font-family: 'times new roman', 'new york', times, serif; font-style: normal; background-color: transparent;"><span>and this run for 3 hours and after that i get this error.</span></div><div style="color: rgb(0, 0, 0); font-size: 24px; font-family: 'times new roman', 'new york', times, serif; font-style: normal;
background-color: transparent;"><span>with best regards</span></div><div style="color: rgb(0, 0, 0); font-size: 24px; font-family: 'times new roman', 'new york', times, serif; font-style: normal; background-color: transparent;"><span>sikander</span></div> <div><br><br></div><div style="display: block;"> <div style="font-family: 'times new roman', 'new york', times, serif; font-size: 18pt;"> <div style="font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-size: 12pt;"> <div> <font face="Arial" size="2"> On Tuesday, August 26, 2014 2:14 AM, Tomas Kana <kana@seznam.cz> wrote:<br> </font> </div> <br><br> <div><div><div><div>Hello Sikander, </div><div>Did this happen after init_lapw and run_lapw? <br></div><div>Did init_lapw run correctly? I think this could be some </div><div>crude error
(probably changing your structure file without </div><div>proper init_lapw afterwards).</div><div>Tomas</div><br><blockquote><div><div style="color: rgb(0, 0, 0); font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-size: 12pt; background-color: rgb(255, 255, 255);"><div>Dear All </div><div>Please help me, how to solve this problem</div><div>Error in LAPW1</div><div> 'SELECT' - no energy limits found for atom 4 L= 0 </div><div> 'SELECT' - E-bottom -1.28448 E-top -200.00000 </div><div>with best regards</div><div>sikander</div><div><br></div></div></div>_______________________________________________<br>Wien mailing list<br>Wien@zeus.theochem.tuwien.ac.at<br>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>SEARCH the MAILING-LIST at:
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