<html><head><meta http-equiv="Content-Type" content="text/html; charset=UTF-8"></head><body >Please refer to the FAQ QTL-B error: http://www.wien2k.at/reg_user/faq/qtlb.html<div><br></div><div>I hope this will help. <br><div><br></div><div>Oleg</div></div><br><br><br>-------- Original message --------<br>From: njudyp@sina.com <br>Date: 03-09-2013 21:49 (GMT-05:00) <br>To: wien <wien@zeus.theochem.tuwien.ac.at> <br>Subject: [Wien] total energy <br> <br><br><div>Hi everybody:</div>
<div>when I use Wien2k to calculate the total energy, it has some warnings, e.g. " WARNING: NE limited by NUME in param.inc" or " QTL-B value eq. 7.43 in Band of energy -0.31938 ATOM= 14 L= 1". However, it can calculate successfully. My question is with these warnings, the total energy is still maintain accurate, or it can not be believable?</div>
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