
<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:16px"><div id="yui_3_16_0_ym19_1_1462972638940_13467"><span id="yui_3_16_0_ym19_1_1462972638940_13530">Dear QE users</span></div><div id="yui_3_16_0_ym19_1_1462972638940_13566"><span id="yui_3_16_0_ym19_1_1462972638940_13530">I wish to study spin orbit effect in ZrS2.</span></div><div id="yui_3_16_0_ym19_1_1462972638940_13674"><span id="yui_3_16_0_ym19_1_1462972638940_13530">Unfortunately, relativistic pseudopotential is not available for Zr on QE website.</span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1462972638940_13672"><span id="yui_3_16_0_ym19_1_1462972638940_13530">Can we use scalar relativistic for Zr and fully relativistic for S for SOC calculation?</span></div><div id="yui_3_16_0_ym19_1_1462972638940_13670"><span id="yui_3_16_0_ym19_1_1462972638940_13530">Can anyone provide me fully relativistic pseudopotential for Zr?</span></div><div id="yui_3_16_0_ym19_1_1462972638940_13668"><span id="yui_3_16_0_ym19_1_1462972638940_13530">Best Wishes</span></div><div id="yui_3_16_0_ym19_1_1462972638940_13501" class="signature"><div id="yui_3_16_0_ym19_1_1462972638940_13500">--------------------------------------------------------------------- <br><strong id="yui_3_16_0_ym19_1_1462972638940_13630"><font id="yui_3_16_0_ym19_1_1462972638940_13629" color="#0000ff" size="4">Dr. Sohail Ahmad</font></strong></div><font color="#0000ff">King Khalid University</font><div id="yui_3_16_0_ym19_1_1462972638940_13642"><font color="#0000ff">Abha, Saudi Arabia</font></div><div id="yui_3_16_0_ym19_1_1462972638940_13647">--------------------------------------------------------------------<br></div></div></div></body></html>