<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.1//EN" "http://www.w3.org/TR/xhtml11/DTD/xhtml11.dtd"><html><head><link type="text/css" rel="stylesheet" href="/gw_resource/css/namo_basic.css"><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body class=""><style type="text/css" id="NamoSE__GeneralStyle"> body{font-family :돋움; color : #000000; font-size : 10pt; margin : 7px 0 0 7px;} p,li{line-height:1.2; word-wrap: break-word; margin-top:0; margin-bottom:0;} body{overflow:auto;}.NamoSE_layoutlock_show { word-break: break-all;}</style><p>Dear Ari and Matteo,</p><p>Thank for your help,</p><p>In fact I solved the problem by applying U to Sulfur 3p orbital along with the Sn 4d orbital, and it works well,</p><p>I would like to thank "Phys Whiz" youtube channel <a href="https://www.youtube.com/watch?v=FrY8Sj0zUus">https://www.youtube.com/watch?v=FrY8Sj0zUus</a> who helped me to solve this issue,</p><p>more information can be found in his paper PRB 100, 045151 (2019), in which he applied same method for ZnS</p><p>Best,<br></p><br><p><br></p><div name="gwSign"><link type="text/css" rel="stylesheet" href="/gw_resource/css/namo_basic.css"><p><span style="color: rgb(0, 37, 222); font-family: Calibri, sans-serif; font-size: 10pt; background-color: rgb(255, 255, 255);">Houcine BOUZID (후세인 부지드), PhD Candidate</span><span style="color: rgb(0, 37, 222); font-family: Calibri, sans-serif; font-size: 10pt; background-color: rgb(255, 255, 255);"><br> Center for Integrated Nanostructure Physics, IBS<br> Sungkyunkwan University, <br>Korea. <br></span></p><p><span style="color: rgb(0, 37, 222); font-family: Calibri, sans-serif; font-size: 10pt; background-color: rgb(255, 255, 255);"><br></span></p><span style="color: rgb(0, 173, 254); font-family: Calibri, sans-serif; font-size: 9pt; background-color: rgb(255, 255, 255);"> </span><p> </p></div><img src="http://ptmsg.skku.edu/emate_app/ematemdn.nsf/mdnform?OpenForm&sender=bouzid@skku.edu&receiver=users@lists.quantum-espresso.org&key=2FFB5076E15CE57A492584A9004A0237" width=0 height=0 border=0></body></html>