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<meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear Sir or Madam,<div class=""><br class=""></div><div class="">I am trying to conduct wannier function projection on magnetic (spin-polarized) system with spin orbit coupling using Wien2kwannier, as I calculated the system on Wien2k.</div><div class=""><br class=""></div><div class="">I tried first on the Fe case. I could converge a calculation on Wien2k, while I am confused with the wannier calculation through Wien2kwannier interface with SOC.</div><div class=""><br class=""></div><div class="">I wonder if anybody could tell the correct work flow for SOC case on wannier calculation through Wien2kwannier interface.</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""></div><div class="">Best Regards,<br class=""><div class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Guanxiong Qu<br class=""><br class="">■ 独立行政法人 物質・材料研究機構<br class="">■ National Institute for Materials Science(NIMS) <br class=""> Magnetic Materials Unit NAG<br class=""> Guanxiong Qu<br class=""> 〒305-0047 茨城県つくば市千現1-2-1<br class=""> 磁性材料ユニット 研究本館居室棟720<br class=""> Mobile: 080-5656-9920 EXT.2793<br class=""><br class=""></div>
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