<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt"><div>hi,</div><div>I made a calcule scf with mbj for a systeme with doping. but i found a <span id="yiv5735049693result_box" class="yiv5735049693short_text" lang="en"><span class="yiv5735049693hps">problem</span></span> in lapw1. the <span id="yiv5735049693result_box" class="yiv5735049693short_text" lang="en"><span class="yiv5735049693hps">error appears when the scf close to converge.</span></span></div><div style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;background-color:transparent;font-style:normal;"><br><span id="yiv5735049693result_box" class="yiv5735049693short_text" lang="en"><span class="yiv5735049693hps"></span></span></div><div style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica
Neue, Helvetica, Arial, Lucida Grande, sans-serif;background-color:transparent;font-style:normal;"><span id="yiv5735049693result_box" class="yiv5735049693short_text" lang="en"><span class="yiv5735049693hps">lapw1.error</span></span></div><div style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;background-color:transparent;font-style:normal;"><span id="yiv5735049693result_box" class="yiv5735049693short_text" lang="en"><span class="yiv5735049693hps">'select' - no energy limits found for atom 5 L=1</span></span></div><div style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;background-color:transparent;font-style:normal;"><span id="yiv5735049693result_box" class="yiv5735049693short_text" lang="en"><span class="yiv5735049693hps">'select' -E- bottom -2.32207 E-top -200.000</span></span></div><div
style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;background-color:transparent;font-style:normal;"><br><span id="yiv5735049693result_box" class="yiv5735049693short_text" lang="en"><span class="yiv5735049693hps"></span></span></div><div style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;background-color:transparent;font-style:normal;"><br><span id="yiv5735049693result_box" class="yiv5735049693short_text" lang="en"><span class="yiv5735049693hps"></span></span></div><div style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;background-color:transparent;font-style:normal;"><span id="yiv5735049693result_box" class="yiv5735049693short_text" lang="en"><span class="yiv5735049693hps">please help me <br></span></span></div><div
style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;background-color:transparent;font-style:normal;"><br><span id="yiv5735049693result_box" class="yiv5735049693short_text" lang="en"><span class="yiv5735049693hps"></span></span></div><span id="yiv5735049693result_box" class="yiv5735049693short_text" lang="en"><span class="yiv5735049693hps">cordialy</span></span></div></body></html>