<html><head></head><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:16px"><div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12193"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12195" class="">Dear WIEN2k developers, <o:p id="yui_3_16_0_1_1452493437758_12197" class=""></o:p></span></div><div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12193"><span style="font-family: 'Times New Roman', serif;" class=""><br></span></div>
<div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12199"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12201" class="">Could anyone please explain to me the role of spin-orbit in L2,3
(or M4,5) ELNES calculations? In
particular, suppose I am trying to get L2,3 ELNES of non-magnetic
compounds.<o:p id="yui_3_16_0_1_1452493437758_12203" class=""></o:p></span></div>
<div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12205"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12207" class="">Does ELNES know about spin-orbit coupling and L2 vs. L3? In other
words, how <o:p id="yui_3_16_0_1_1452493437758_12209" class=""></o:p></span></div>
<div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12211"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12213" class="">can I get the correct L2,3 ELNES of a compound (for example, L2,3
of Ti in TiC) with wien2k code?<o:p id="yui_3_16_0_1_1452493437758_12215" class=""></o:p></span></div>
<div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12217"><span style="font-family: 'Times New Roman', serif;" class=""><br></span></div><div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12217"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12219" class="">If I say true,<o:p id="yui_3_16_0_1_1452493437758_12221" class=""></o:p></span></div>
<div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12223"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12225" class="">1. initializing with changing the occupation number of 2p1/2 in case.inc.<o:p id="yui_3_16_0_1_1452493437758_12227" class=""></o:p></span></div>
<div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12229"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12231" class="">2. running a spin-orbit scf (run_lapw -so -ec 0.0001 -p)<o:p id="yui_3_16_0_1_1452493437758_12233" class=""></o:p></span></div>
<div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12235"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12237" class="">3. telnes3 program in tasks section.<o:p id="yui_3_16_0_1_1452493437758_12239" class=""></o:p></span></div>
<div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12241"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12243" class="">4. repeating above statements for 2p3/2<o:p id="yui_3_16_0_1_1452493437758_12245" class=""></o:p></span></div>
<div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12247"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12249" class="">5. sum up the L2 and L3 spectra results<o:p id="yui_3_16_0_1_1452493437758_12251" class=""></o:p></span></div>
<div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12253"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12255" class="">Many thanks in advance for your help<o:p id="yui_3_16_0_1_1452493437758_12257" class=""></o:p></span></div>
<div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12259"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12261" class=""> </span></div>
<div class="" style="margin-bottom:0in;margin-bottom:.0001pt;text-align:justify;line-height:14.7pt;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" id="yui_3_16_0_1_1452493437758_12263"><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1452493437758_12265" class="">Hajar<o:p id="yui_3_16_0_1_1452493437758_12267" class=""></o:p></span></div>
<div class="" style="text-align:justify" dir="ltr" id="yui_3_16_0_1_1452493437758_12269"><span style="font-size:12.0pt;line-height:115%;font-family:"Times New Roman","serif"" id="yui_3_16_0_1_1452493437758_12271" class=""><o:p id="yui_3_16_0_1_1452493437758_12273" class=""> </o:p></span></div></div></body></html>