Hi,<br> <div class="MsoNormal" style="text-align: justify;"> Total DOS has the characterization of all the other partial DOS's and can be obtained, as it comes from its name, from a summation over all the lm-like partial DOS's in the spheres plus the interstitial DOS with no specified lm.<br>One then rarely expects to observe similar behavior form total and partial DOS's.<span style="" lang="EN-GB"><o:p></o:p></span></div> <br><b><i>"H. Duan" <duanhe@mail.sitp.ac.cn></i></b> wrote:<blockquote class="replbq" style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"> Dear wien2k users and developers,<br> I calculated the total density of states (TDOS)of CdTe following the instructions in the userguide,then I checked the lm-like partial density of states (PDOS) for Cd and Te atoms, but the conduction band edge of the PDOS is not always align with the one shown in the TDOS. How to explain it?<br><br>With best regards, <br>
<br>He Duan, PhD<br>Room 24309, National Laboratory for Infrared Physics<br>Institute of Technical Physics<br>Chinese Academy of Sciences<br>500 Yutian Road<br>Shanghai, 200083, China<br>E-mail: duanhe@mail.sitp.ac.cn, duanhe_xju@yahoo.com.cn<br>Tel: +86(0)21 65420850 ext.24309<br><br><br>_______________________________________________<br>Wien mailing list<br>Wien@zeus.theochem.tuwien.ac.at<br>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br></blockquote><br><BR><BR>Sincerely yours,<br>S. Jalali.<br>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br>Saeid Jalali Asadabadi,<br>Department of Physics, Faculty of Science,<br>University of Isfahan (UI), Hezar Gerib Avenue,<br>81744 Isfahan, Iran.<br>Phones:<br>Dep. of Phys. :+98-0311-793 2435<br>Office :+98-0311-793 2430<br>Fax No. :+98-0311-793
2409<br>E-mail :s_jalali_a@yahoo.com<br>www :http://www.ui.ac.ir<br>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<p> 
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