<div>Dear Qiu,</div> <div>Thank you for your reply. Regarding the Ricardo e-mail, I find the number of electrons in Case.in2.</div> <div>Best regardes,</div> <div>Rahnama<BR><BR><B><I>Bo Qiu <200210qb@gmail.com></I></B> wrote:</div> <BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid"> <DIV>Hi, Rahnama,</DIV> <DIV> </DIV> <DIV>I'm not 100% sure, but why don't you check case.scf2, at the middle of that file, there is a number of electrons. Maybe that will be what you need. Thanks.</DIV> <DIV> </DIV> <DIV>Bo Qiu<BR><BR> </DIV> <DIV><SPAN class=gmail_quote>On 10/15/07, <B class=gmail_sendername>hossien rahnama</B> <<A href="mailto:h_rahnamay@yahoo.com">h_rahnamay@yahoo.com</A>> wrote:</SPAN> <BLOCKQUOTE class=gmail_quote style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid"> <DIV dir=ltr style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman"
size=3>Dear Wien2k users,</FONT></DIV> <DIV dir=ltr style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Thanks a lot for your attentions. I want to calculate, number of electrons in valence band for In<SUB>2</SUB>O<SUB>3</SUB> with 80 atoms in unit cell. How can I calculate, the number of electrons in valence band for In <SUB>2</SUB>O<SUB>3</SUB>?</FONT></DIV> <DIV dir=ltr style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Thank you for any suggestion in advanced.</FONT></DIV> <DIV dir=ltr style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Rahnama</FONT></DIV> <DIV dir=ltr style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3></FONT> </DIV><BR><BR>Hossein Asghar Rahnamaye Aliabad(PH.D Student)<BR>Electroceramic and Material Laboratory<BR>Department of Physics,Faculty of Science <BR>Ferdowsi University of Mashhad, Iran<BR>Phone: +98 511 8644047<BR>Web: <A onclick="return top.js.OpenExtLink(window,event,this)"
href="http://www.um.ac.ir/" target=_blank>www.um.ac.ir</A><BR>Email: <A onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:ho_ra71@stu-mail.um.ac.ir" target=_blank>ho_ra71@stu-mail.um.ac.ir</A>, <A onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:h_rahnamay@yahoo.com" target=_blank>h_rahnamay@yahoo.com</A> <div><SPAN class=ad> <HR SIZE=1> Yahoo! oneSearch: Finally, <A onclick="return top.js.OpenExtLink(window,event,this)" href="http://us.rd.yahoo.com/evt=48252/*http://mobile.yahoo.com/mobileweb/onesearch?refer=1ONXIC" target=_blank>mobile search that gives answers </A>, not web links. </SPAN> <div></div><BR>_______________________________________________<BR>Wien mailing list<BR><A onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A> <BR><A onclick="return top.js.OpenExtLink(window,event,this)"
href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target=_blank>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</A><BR><BR> <div></div></BLOCKQUOTE></DIV><BR><BR clear=all><BR>-- <BR>Thanks and Best Wishes.<BR><BR>Sincerely yours,<BR>Bo Qiu<BR><A href="http://web.ics.purdue.edu/~qiub/">http://web.ics.purdue.edu/~qiub/</A> _______________________________________________<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>Hossein Asghar Rahnamaye Aliabad(PH.D Student)<br>Electroceramic and Material Laboratory<br>Department of Physics,Faculty of Science<br>Ferdowsi University of Mashhad, Iran<br>Phone: +98 511 8644047<br>Web: www.um.ac.ir<br>Email: ho_ra71@stu-mail.um.ac.ir, h_rahnamay@yahoo.com<p> 
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