<html><head></head><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:16px"><div id="yui_3_16_0_ym19_1_1485681960133_9114" role="presentation" style="" tabindex="0"><div id="yui_3_16_0_ym19_1_1485681960133_9115"><div id="yui_3_16_0_ym19_1_1485681960133_9116"><div id="yui_3_16_0_ym19_1_1485681960133_9117"><div id="yui_3_16_0_ym19_1_1485681960133_9118" style="color:#000;background-color:#fff;font-family:times new roman, new york, times, serif;font-size:16px;"><div id="yui_3_16_0_ym19_1_1485681960133_9119">Dear Wien2k developers</div><div id="yui_3_16_0_ym19_1_1485681960133_9120"><br id="yui_3_16_0_ym19_1_1485681960133_9121"></div><div id="yui_3_16_0_ym19_1_1485681960133_9122">I'm calculating the ELNES spectra of some two-dimensional materials such as 1T-TaS2 monolayer. </div><div id="yui_3_16_0_ym19_1_1485681960133_9123">With
wien2k 11, 12, 14.2 and 16.1, the sulfur K edge spectrum of the monolayers tas2, vs2 and nbs2 are wrong because they are zero at the energy range of zero (edge) up
to about 5 eV.</div><div id="yui_3_16_0_ym19_1_1485681960133_9124" dir="ltr">I completely checked and tested my structures, and I am sure that they are correct.</div><div id="yui_3_16_0_ym19_1_1485681960133_9125" dir="ltr"><br id="yui_3_16_0_ym19_1_1485681960133_9126"></div><div id="yui_3_16_0_ym19_1_1485681960133_9127" dir="ltr">I think this is a bug that exists in the TELNES3 program of Wien2k, which has remained up to now.</div><div id="yui_3_16_0_ym19_1_1485681960133_9128" dir="ltr">It is worthwhile to mention that this bug have occurred for other two dimensional materials that I have investigated.</div><div id="yui_3_16_0_ym19_1_1485681960133_9129" dir="ltr"><br id="yui_3_16_0_ym19_1_1485681960133_9130"></div><div id="yui_3_16_0_ym19_1_1485681960133_9131" dir="ltr">Let me know if more information is needed.</div><div id="yui_3_16_0_ym19_1_1485681960133_9132" dir="ltr"><div id="yui_3_16_0_ym19_1_1485681960133_9281" dir="ltr">Please help me what is the source of this.</div></div></div></div></div></div></div></div></body></html>