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--></style></head><body lang=EN-US link=blue vlink="#954F72"><div class=WordSection1><p class=MsoNormal>Dear professors,</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Do you know how to deal with the inversion symmetry and time reversal symmetry in wien2k, how do you make them different ?</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>For example, if the positions of two atoms Si is in (0.125 0.125 0.125) and (0.875 0.875 0.875), the system has inversion and time reversal symmetry, then the point group symmetry matrix has number 48. </p><p class=MsoNormal>But if the positions are (0 0 0) and (0.25 0.25 0.25), the system doesn’t has the inversion symmetry, with time reversal symmetry left, will the symmetry matrix reduce to number 24, or also number 48?</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>In a word, what my question is : Does the symmetry matrix (-1 0 0, 0 -1 0, 0 0 -1) show not only the inversion symmetry , but also time reversal symmetry in a system?</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Looking forward to your reply</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Regards,</p><p class=MsoNormal>Jasmine.</p><p class=MsoNormal><o:p> </o:p></p></div></body></html>