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--></style></head><body lang=EN-US link=blue vlink="#954F72" style='word-wrap:break-word'><div class=WordSection1><p class=MsoNormal>Thanks for the reply,<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>I know case.inso shows the vector of the magnetic moment, which is the exact direction that the local coordinate of Sz point to.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>What’s the local coordinate of S_xy plane? Do you have any information of that? Is there any transformation matrix from the global to local spin? <o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Sorry, Sir. I can’t find the case.outputdm* file in my calculation.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Best,<o:p></o:p></p><p class=MsoNormal>Rossie.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><div style='mso-element:para-border-div;border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0in 0in 0in'><p class=MsoNormal style='border:none;padding:0in'><b>From: </b><a href="mailto:wien@zeus.theochem.tuwien.ac.at">Lyudmila Dobysheva via Wien</a><br><b>Sent: </b>Sunday, May 22, 2022 11:57 PM<br><b>To: </b><a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a><br><b>Cc: </b><a href="mailto:lyuka17@mail.ru">Lyudmila Dobysheva</a><br><b>Subject: </b>Re: [Wien] local coordinate of Spin</p></div><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>22.05.2022 19:53, Ruoshi Jiang wrote:</p><p class=MsoNormal>> When we calculate the spin-orbit coupling case, we choose the local Sz </p><p class=MsoNormal>> to be parallel to the direction of the chosen magnetization direction(in </p><p class=MsoNormal>> case.inso).</p><p class=MsoNormal>> </p><p class=MsoNormal>> But what about the Sx, and Sy direction? What is the local coordinate of </p><p class=MsoNormal>> the spin? It seems different with the local coordinate of the space.</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>You are to give in the inso the direction of magnetic moment, that is </p><p class=MsoNormal>vector (Sx, Sy, Sz)</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Best wishes</p><p class=MsoNormal>Lyudmila Dobysheva</p><p class=MsoNormal>------------------</p><p class=MsoNormal>http://ftiudm.ru/content/view/25/103/lang,english/</p><p class=MsoNormal>Institute of Physics and Technology,</p><p class=MsoNormal>Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.</p><p class=MsoNormal>426000 Izhevsk Kirov str. 132</p><p class=MsoNormal>Russia</p><p class=MsoNormal>---</p><p class=MsoNormal>Tel. +7 (34I2)43-24-59 (office), +7 (9I2)OI9-795O (home)</p><p class=MsoNormal>Skype: lyuka18 (office), lyuka17 (home)</p><p class=MsoNormal>E-mail: lyuka17@mail.ru (office), lyuka17@gmail.com (home)</p><p class=MsoNormal>_______________________________________________</p><p class=MsoNormal>Wien mailing list</p><p class=MsoNormal>Wien@zeus.theochem.tuwien.ac.at</p><p class=MsoNormal>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</p><p class=MsoNormal>SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</p><p class=MsoNormal><o:p> </o:p></p></div></body></html>