<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:14px"><div id="yui_3_16_0_ym19_1_1486813141124_2353"><span id="yui_3_16_0_ym19_1_1486813141124_3005">hello wien2k users </span></div><div></div><div id="yui_3_16_0_ym19_1_1486813141124_2625"><div style="padding-bottom: 20px; border-left-width: 1px; border-left-style: solid; border-left-color: transparent; padding-left: 8px; color: rgb(34, 34, 34); font-family: arial, sans-serif; font-size: medium;" id="yui_3_16_0_ym19_1_1486813141124_2946"><div style="margin-left: 44px;" id="yui_3_16_0_ym19_1_1486813141124_2947"><div style="font-size: 12.8px; direction: ltr; margin: 5px 15px 0px 0px; padding-bottom: 5px; position: relative;" id="yui_3_16_0_ym19_1_1486813141124_2948"><div style="overflow: hidden;" id="yui_3_16_0_ym19_1_1486813141124_2949"><div dir="ltr" id="yui_3_16_0_ym19_1_1486813141124_2950"><div id="yui_3_16_0_ym19_1_1486813141124_2951"><div id="yui_3_16_0_ym19_1_1486813141124_2952"><font size="4" id="yui_3_16_0_ym19_1_1486813141124_2953"> i need your help </font></div><div id="yui_3_16_0_ym19_1_1486813141124_2954"><div style="color: rgb(0, 0, 0); font-family: 'helvetica neue', 'segoe ui', helvetica, arial, 'lucida grande', sans-serif;" id="yui_3_16_0_ym19_1_1486813141124_2955"><font size="4" id="yui_3_16_0_ym19_1_1486813141124_2956"><span style="font-family: 'courier new'; white-space: pre-wrap;" id="yui_3_16_0_ym19_1_1486813141124_2957"> I am trying a spin polarized calculation for the Fe3Co/MgO/Fe3Co magnetic tunnel junction.</span><br id="yui_3_16_0_ym19_1_1486813141124_2958"></font></div></div><div id="yui_3_16_0_ym19_1_1486813141124_2959"><pre id="yui_3_16_0_ym19_1_1486813141124_2960"><pre style="color: rgb(0, 0, 0); font-family: 'courier new'; font-size: 12.8px;" id="yui_3_16_0_ym19_1_1486813141124_2961"><span style="font-size: large;" id="yui_3_16_0_ym19_1_1486813141124_2962"> However, lapw2 showing in file.log , I am having difficulty with the convergence. Any recommendations?</span><br id="yui_3_16_0_ym19_1_1486813141124_2963"></pre><div id="yui_3_16_0_ym19_1_1486813141124_2964"><font color="#000000" face="courier new" id="yui_3_16_0_ym19_1_1486813141124_2965">korichi khadija, [08.02.17 23:34]
LAPW2 - FERMI; weighs written
L2main - QTL-B Error
L2main - QTL-B Error
L2main - QTL-B Error
L2main - QTL-B Error
L2main - QTL-B Error
L2main - QTL-B Error
cp: impossible d'évaluer « .in.tmp »: Aucun fichier ou dossier de ce type
> stop error
ERROR status in small_vol__-4.0
korichi khadija, [08.02.17 23:38]
grep cycle small.dayfile
cycle 1 (Wed Feb 8 23:26:24 CET 2017) (40/99 to go)
cycle 2 (Wed Feb 8 23:26:57 CET 2017) (39/98 to go)<br id="yui_3_16_0_ym19_1_1486813141124_2966"></font></div><div id="yui_3_16_0_ym19_1_1486813141124_2967"><font color="#000000" face="courier new" id="yui_3_16_0_ym19_1_1486813141124_2968">regards</font></div></pre></div></div><div id="yui_3_16_0_ym19_1_1486813141124_2969"></div></div></div></div><div style="border-bottom-left-radius: 1px; border-bottom-right-radius: 1px; padding: 0px; margin: 0px; width: auto; background: rgb(242, 242, 242);" id="yui_3_16_0_ym19_1_1486813141124_2970"></div></div><div style="clear: both;" id="yui_3_16_0_ym19_1_1486813141124_2971"></div></div><div style="font-size: 12.8px; padding: 0px; width: auto; border-bottom-left-radius: 0px; border-bottom-right-radius: 0px; border-right-width: 0px; border-bottom-width: 0px; border-left-width: 0px; border-top-style: none; border-color: initial; margin: 0px; color: rgb(34, 34, 34); font-family: arial, sans-serif; background-image: initial; background-attachment: initial; background-size: initial; background-origin: initial; background-clip: initial; background-position: initial; background-repeat: initial;" id="yui_3_16_0_ym19_1_1486813141124_2972"><div style="border-top-width: 0px; padding: 0px;" id="yui_3_16_0_ym19_1_1486813141124_2973"><div style="clear: both; margin: 0px 5px 0px 0px; padding: 12px 0px 0px 8px; border-top-width: 1px; border-top-style: solid; border-top-color: rgb(208, 208, 208);" id="yui_3_16_0_ym19_1_1486813141124_2974"><div dir="ltr" id="yui_3_16_0_ym19_1_1486813141124_2975"><table role="presentation" style="border-collapse: collapse;" id="yui_3_16_0_ym19_1_1486813141124_2976"><tbody id="yui_3_16_0_ym19_1_1486813141124_2977"><tr id="yui_3_16_0_ym19_1_1486813141124_2978"></tr></tbody></table></div></div></div></div></div></div></body></html>