<html><head></head><body><div style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:16px;"><div style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:16px;"><div><span>Hii List,</span></div><div><span><br></span></div><div><span>I want to apply SO with <span><span> pbe+mbj on</span></span> a system (inorganic) which is having Cesium, Tellurium, and Indium on Wien2k_16. For the same I am getting below -Energy parameters <br></span></div><div><span><br></span></div><div><span>A. p-Energy parameters for Cs atom is :</span></div><div><br></div><span> 1 0.30 0.0000 CONT 1<br> 1 -0.66 0.0010 CONT 1<br> <br>B. p-Energy parameters for Te atom is :<br> 1 0.30 0.0000 CONT 1<br> <br><br>C. p-Energy parameters for I atom is :<br> 1 0.30 0.0000 CONT 1<br></span><span></span><div><br></div><div>1. May you please advice me whether I should consider RLO for all three atoms or only for Te/I or only Cs?</div><div>2. Or in general how to decide whether we need to add RLO or not?<br></div><div>I am applying SO on all these three atoms.</div><div><br></div><div>Any advice will be helpful.</div><div><br></div><div><br></div>With best regards<br><div><br></div><div>Chin S.<br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div></div></div></body></html>