<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:16px"><div class="" style="text-indent:0in;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_1428300310145_2640"><span style="font-family: 'Times New Roman', serif;" class="" id="yui_3_16_0_1_1428300310145_2641">Dear Wien2k users<o:p class="" style=""></o:p></span></div><div class="" style="text-indent:0in;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_1428300310145_2588"><span style="font-family: 'Times New Roman', serif;" class=""> </span></div><div class="" style="text-indent:0in;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_1428300310145_2631"><span style="font-family: 'Times New Roman', serif;" class="" id="yui_3_16_0_1_1428300310145_2630">I am interested in calculating the ELNES spectrum for a crystal
and I am faced with the following problems:<o:p class="" style=""></o:p></span></div><div class="" style="text-indent:0in;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_1428300310145_2632"><span style="font-family: 'Times New Roman', serif;" class=""> </span></div><div class="" style="text-indent:0in;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_1428300310145_2634"><b class="" style=""><span style="font-family: 'Times New Roman', serif;" class="">1)</span></b><span style="font-family: 'Times New Roman', serif;" class="" id="yui_3_16_0_1_1428300310145_2633"> For an
"Orientation Sensitive" calculation, the Euler angles (alpha, beta,
gamma) are required.<o:p class="" style=""></o:p></span></div><div class="" style="text-indent:0in;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_1428300310145_2636"><span style="font-family: 'Times New Roman', serif;" class="" id="yui_3_16_0_1_1428300310145_2635">The crystal structure is described with respect to an Oxyz system.
However it is not clear to me what this relative orientation corresponds to
when for example the input (alpha, beta, gamma)=(0,0,0) is used. How</span><span style="font-family: 'Times New Roman', serif;" id="yui_3_16_0_1_1428300310145_2726" class=""> </span><span style="font-family: 'Times New Roman', serif;" class="">is </span><span style="font-family: 'Times New Roman', serif; text-indent: 0in;" class="" id="yui_3_16_0_1_1428300310145_2731">the option (0,0,0) corresponded to the electron-beam parallel to the c-axis?</span></div><div class="" style="text-indent:0in;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_1428300310145_2637"><span style="font-family: 'Times New Roman', serif;" class=""> </span></div><div class="" style="text-indent:0in;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_1428300310145_2639"><b class="" style=""><span style="font-family: 'Times New Roman', serif;" class="">2) </span></b><span style="font-family: 'Times New Roman', serif;" class="" id="yui_3_16_0_1_1428300310145_2638">What should be the input
for (alpha, beta, gamma) in order to have the electron beam along the x-axis or
y-axis or particularly in the xy-plane?<o:p class="" style=""></o:p></span></div><div class="" style="text-indent:0in;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_1428300310145_2689"><span style="font-family: 'Times New Roman', serif;" class=""> </span></div><div class="" style="text-indent:0in;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_1428300310145_2691"><span style="font-family: 'Times New Roman', serif;" class="" id="yui_3_16_0_1_1428300310145_2690">I searched the mailing list but I could not found a clear
response.<o:p class="" style=""></o:p></span></div><div class="" style="text-indent:0in;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_1428300310145_2692"><span style="font-family: 'Times New Roman', serif;" class=""><br></span></div><div class="" style="text-indent:0in;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_1428300310145_2692"><span style="font-family: 'Times New Roman', serif;" class="" id="yui_3_16_0_1_1428300310145_2694">All the best.<o:p class="" style=""></o:p></span></div><div id="yui_3_16_0_1_1428300310145_2561">
</div><div class="" style="text-indent:0in;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_1428300310145_2693"><span style="font-family: 'Times New Roman', serif;" class=""><br></span></div><div class="" style="text-indent:0in;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_1428300310145_2693"><span style="font-family: 'Times New Roman', serif;" class="" id="yui_3_16_0_1_1428300310145_2695">Hajar<o:p class="" style=""></o:p></span></div><div id="yui_3_16_0_1_1428300310145_2561" class="" style=""><br class="" style=""></div></div></body></html>