<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt"><div id="yiv3306423219"><div><div style="color:#000;background-color:#fff;font-family:times new roman, new york, times, serif;font-size:12pt;"><div id="yiv3306423219yui_3_7_2_31_1381199612907_39">Dear users and developers,<br></div><div id="yiv3306423219yui_3_7_2_31_1381199612907_62"><br></div><div style="color:rgb(0, 0, 0);font-size:16px;font-family:times new roman, new york, times, serif;background-color:transparent;font-style:normal;" id="yiv3306423219yui_3_7_2_31_1381199612907_64">I am a new user trying to initialize calculation for a (20 atoms) in unit cell (a sulfide material) with a Pnma (No.62) spacegroup. My problem is I got this warning.<br></div><div id="yiv3306423219yui_3_7_2_31_1381199612907_60">WARNING: 0.254 Sb CORE electrons leak out of MT-sphere !!!!<br>I checked the
WIEN2k.outputst for which atom/states the core-leakage occurs and rerun lstart with lower core-seperation energy. But still the warning appears, then I try to increase RMT, again the problem persist. And when I neglect the core-leakage error thinking that the .lcore will created and directs the scf-cycle to peform a superposition of core densities, as mentioned in UG. The SCF hangs-up (still hangs-up). Furthermore, I got this (Error in LAPW2) in the the case.output file. <br>HELP PLEASE!<br>Thanks in advance for your response.<br>MOHAMMED Lawal<br>Universiti Technologi Malaysia<br> <br><br></div></div></div></div></div></body></html>