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--></style></head><body lang=ZH-CN link=blue vlink="#954F72"><div class=WordSection1><p class=MsoNormal><span lang=EN-US>Thank you for your answer.I still have a question.why the rotation symmetry matrix of case.struct and of case.outputkgen is different?Is the rotation symmetry matrix of the case.outputkgen is in k-space?</span></p><div style='mso-element:para-border-div;border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0cm 0cm 0cm'><p class=MsoNormal style='border:none;padding:0cm'><b>发件人<span lang=EN-US>: </span></b><span lang=EN-US><a href="mailto:gsabo@crimson.ua.edu">Gavin Abo</a><br></span><b>发送时间<span lang=EN-US>: </span></b><span lang=EN-US>2018</span>年<span lang=EN-US>10</span>月<span lang=EN-US>30</span>日<span lang=EN-US> 10:46<br></span><b>收件人<span lang=EN-US>: </span></b><span lang=EN-US><a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a><br></span><b>主题<span lang=EN-US>: </span></b><span lang=EN-US>Re: [Wien] something about the soc</span></p></div><p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:SimSun'><o:p> </o:p></span></p><p class=MsoNormal align=left style='text-align:left'><span lang=EN-US style='color:black'>Type A should mean preserve symmetry, while Type B should be time inversion of the symmetry:<br><br><a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15061.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15061.html</a><br><a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14326.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14326.html</a> </span><span lang=EN-US style='font-size:12.0pt;color:black'><o:p></o:p></span></p><p><span lang=EN-US><o:p> </o:p></span></p><div><p class=MsoNormal><span lang=EN-US style='color:black'>On 10/29/2018 7:57 PM, </span><span style='color:black'>姜若诗<span lang=EN-US> wrote:<o:p></o:p></span></span></p></div><p class=MsoNormal style='mso-margin-top-alt:5.0pt;margin-right:36.0pt;margin-bottom:5.0pt;margin-left:36.0pt'><span lang=EN-US style='color:black'>Could anyone tell me what the meaning of the type A and type B in the case.struct after spin-orbital coupling?Thank you very much!<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='color:black'><o:p> </o:p></span></p></div></body></html>