<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"><head><meta http-equiv=Content-Type content="text/html; charset=us-ascii"><meta name=Generator content="Microsoft Word 15 (filtered medium)"><style><!--
/* Font Definitions */
@font-face
{font-family:"Cambria Math";
panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
{font-family:"Malgun Gothic";
panose-1:2 11 5 3 2 0 0 2 0 4;}
@font-face
{font-family:"Malgun Gothic";
panose-1:2 11 5 3 2 0 0 2 0 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0cm;
margin-bottom:.0001pt;
text-align:justify;
text-justify:inter-ideograph;
text-autospace:none;
word-break:break-hangul;
font-size:10.0pt;
font-family:"Malgun Gothic";}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:#0563C1;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{mso-style-priority:99;
color:#954F72;
text-decoration:underline;}
span.EmailStyle17
{mso-style-type:personal-compose;
font-family:"Malgun Gothic";
color:windowtext;}
.MsoChpDefault
{mso-style-type:export-only;
font-family:"Malgun Gothic";}
/* Page Definitions */
@page WordSection1
{size:612.0pt 792.0pt;
margin:3.0cm 72.0pt 72.0pt 72.0pt;}
div.WordSection1
{page:WordSection1;}
--></style><!--[if gte mso 9]><xml>
<o:shapedefaults v:ext="edit" spidmax="1026" />
</xml><![endif]--><!--[if gte mso 9]><xml>
<o:shapelayout v:ext="edit">
<o:idmap v:ext="edit" data="1" />
</o:shapelayout></xml><![endif]--></head><body lang=KO link="#0563C1" vlink="#954F72"><div class=WordSection1><p class=MsoNormal><span lang=EN-US>I sent the figure to your e-mail that includes what I’m saying.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US>My structure is 2:2:2.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US>I can get the band structure from G to L or G to X.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>I set the vector<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US>(0 0 -1/2)<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(0 0 0)<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(0 0 1/2)<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(1/2 1/2 0)<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(-1/2 -1/2 0)<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US>But, I can’t get the band structure from W to L or W to X with fold2Bloch.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>I set the vector<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US>(1/4 1/2 3/4) W<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(0 1/2 1/2) X<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(-1/4 1/2 1/4) W<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(0 0 0) G<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(1/4 -1/2 -1/4) W<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(-1/4 -1/2 -3/4) X<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(1/4 1/2 3/4) W<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(0 0 1/2) L<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(0 0 -1/2) L<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(0 -1/2 -1/2) X<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(0 1/2 1/2) X<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>(0 0 1/2) L<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US>When I try to unfold it, W to L and W to X band structure eliminated.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>What is the problem?<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US>Sincerely yours,<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>Yongbeom Cho<o:p></o:p></span></p></div></body></html>