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<P>hi Verma</P>
<P>Please send me your graph of strucutral properties drawn.</P>
<P>bye<BR><BR></P></DIV>
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<DIV></DIV>From: <I>U P Verma <upv@airtelbroadband.in></I><BR>Reply-To: <I>A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at></I><BR>To: <I>A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at></I><BR>Subject: <I>[Wien] WZ structure (Band Gap problem)</I><BR>Date: <I>Thu, 30 Aug 2007 19:43:39 +0900</I><BR>>Respected Ahmed ji<BR>><BR>>I have calculated the electronic structure of WZ AlN using<BR>>lattice co-ordinate<BR>><BR>><BR>>Al<BR>>0.333333 0.66666666 0.000000<BR>>0.666666 0.3333333 0.500000<BR>><BR>>N<BR>>0.33333 0.666666 0.384000<BR>>0.66666 0.333333 0.884800<BR>><BR>>But I have a problem with band structure<BR>><BR>>(1) splitting of energy near fermi energy level<BR>>(2)
Structure parameter B prime is too low 0.9450<BR>>but the value of the bulk modulus is close to Exp.<BR>><BR>>Help me<BR>>Thanks in advance<BR>>P S Bisht<BR>><BR>>_______________________________________________<BR>>Wien mailing list<BR>>Wien@zeus.theochem.tuwien.ac.at<BR>>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<BR></FONT></BLOCKQUOTE></div><br clear=all><hr> <a href="http://g.msn.com/8HMAENUS/2743??PS=47575" target="_top">Share your special parenting moments!</a> </html>