<html><head></head><body><div style="color:#000; background-color:#fff; font-family:verdana, helvetica, sans-serif;font-size:13px"><div id="yui_3_16_0_1_1446877135495_4378"><span id="yui_3_16_0_1_1446877135495_4384">Dear developers and Users,</span></div><div id="yui_3_16_0_1_1446877135495_4397"><br><span id="yui_3_16_0_1_1446877135495_4384"></span></div><div id="yui_3_16_0_1_1446877135495_4577" dir="ltr"><span id="yui_3_16_0_1_1446877135495_4384">I have got two problems, and need your help to understand.</span></div><div id="yui_3_16_0_1_1446877135495_5158" dir="ltr"><br><span id="yui_3_16_0_1_1446877135495_4384"></span></div><div id="yui_3_16_0_1_1446877135495_5164" dir="ltr"><br></div><div class="" id="yui_3_16_0_1_1446877135495_4482" dir="ltr"><span class="" id="yui_3_16_0_1_1446877135495_4384">1-I already have two case.structs for alloy and slab, I want to simulate XAS using core-hole. Do I need to create supercell to do this? <br id="yui_3_16_0_1_1446877135495_5162" class=""></span></div><div class="" id="yui_3_16_0_1_1446877135495_4442"><div id="yui_3_16_0_1_1446877135495_5165" dir="ltr"> </div></div><div id="yui_3_16_0_1_1446877135495_4483" dir="ltr"><span class="" id="yui_3_16_0_1_1446877135495_4384">2- I have tried to plot band character using OriginPro, with </span><span id="yui_3_16_0_1_1446877135495_4384"><span class="" id="yui_3_16_0_1_1446877135495_4384">the data from band.agr.</span> But end up with different plot obtained when I used xmgrace. </span></div><div id="yui_3_16_0_1_1446877135495_5473" dir="ltr"><br><span id="yui_3_16_0_1_1446877135495_4384"></span></div><div id="yui_3_16_0_1_1446877135495_5497" dir="ltr"><span id="yui_3_16_0_1_1446877135495_4384">Thanks for the useful discussion here and for any help in this regard.</span></div><div id="yui_3_16_0_1_1446877135495_5523" dir="ltr"><br><span id="yui_3_16_0_1_1446877135495_4384"></span></div><div id="yui_3_16_0_1_1446877135495_5524" dir="ltr"><span id="yui_3_16_0_1_1446877135495_4384"><br></span></div>Kind regards<br><div id="yui_3_16_0_1_1446877135495_4348" class="signature"><div id="yui_3_16_0_1_1446877135495_4355"><font id="yui_3_16_0_1_1446877135495_4743" size="3" face="verdana, helvetica, sans-serif"><i id="yui_3_16_0_1_1446877135495_4742">Lawal Mohammed</i></font></div><h4 id="yui_3_16_0_1_1446877135495_4347"><br></h4></div></div></body></html>