<div class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Dear Wien2k users and Prof.Blaha, <BR>Thank you very much for your attentions. I am doing some calculations for transparent conductors (TCO materials). While I calculate band structure for TCO materials with two different approximations, LDA+U and GGA, I obtain two different curves for top of valance band in Gamma point. In the LDA+U approximation, curvature of valance band curve in Gamma point is up, and the GGA approximation, curvature of valance band curve in Gamma point is down. I want to know, which approximation is better and also give me good physical result?</FONT></div> <div class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Furthermore, I have calculated band structure for TCO materials with Transition metal impurities (GGA approximation), I obtained different results. For some impurities curvature of valance band curve in Gamma point
is up, and for the other impurities, curvature of valance band curve in Gamma point is down. I attention to, curvature of valance band curve in Gamma point is down, I want to know, my obtained results is correct or incorrect?</FONT></div> <div class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Thanks a lot for any suggestion,</FONT></div> <div class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Rahnama </FONT></div> <div class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN><SPAN style="mso-spacerun: yes"> </SPAN></FONT></FONT><SPAN style="POSITION: relative; TOP: 5pt; mso-text-raise: -5.0pt"><?xml:namespace prefix = v ns = "urn:schemas-microsoft-com:vml" /><v:shapetype id=_x0000_t75 stroked="f" filled="f" path="m@4@5l@4@11@9@11@9@5xe" o:preferrelative="t" o:spt="75" coordsize="21600,21600"><v:stroke
joinstyle="miter"></v:stroke><v:formulas><v:f eqn="if lineDrawn pixelLineWidth 0"></v:f><v:f eqn="sum @0 1 0"></v:f><v:f eqn="sum 0 0 @1"></v:f><v:f eqn="prod @2 1 2"></v:f><v:f eqn="prod @3 21600 pixelWidth"></v:f><v:f eqn="prod @3 21600 pixelHeight"></v:f><v:f eqn="sum @0 0 1"></v:f><v:f eqn="prod @6 1 2"></v:f><v:f eqn="prod @7 21600 pixelWidth"></v:f><v:f eqn="sum @8 21600 0"></v:f><v:f eqn="prod @7 21600 pixelHeight"></v:f><v:f eqn="sum @10 21600 0"></v:f></v:formulas><v:path o:connecttype="rect" gradientshapeok="t" o:extrusionok="f"></v:path><?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:lock aspectratio="t" v:ext="edit"></o:lock></v:shapetype><v:shape id=_x0000_i1025 style="WIDTH: 9pt; HEIGHT: 17.25pt" type="#_x0000_t75" o:ole=""><v:imagedata o:title="" src="file:///C:\DOCUME~1\Rahnama\LOCALS~1\Temp\msohtml1\01\clip_image001.wmz"><FONT face="Times New Roman" size=3></FONT></v:imagedata></v:shape></SPAN><SPAN style="mso-spacerun:
yes"><FONT face="Times New Roman" size=3> </FONT></SPAN></div> <div class=MsoNormal style="MARGIN: 0in 0in 0pt"><SPAN lang=HE dir=rtl style="mso-ascii-font-family: 'Albertus Extra Bold'; mso-hansi-font-family: 'Albertus Extra Bold'; mso-bidi-language: HE"><o:p><FONT face="Times New Roman" size=3> </FONT></o:p></SPAN></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: www.um.ac.ir<br>Email: ho_ra71@stu-mail.um.ac.ir, h_rahnamay@yahoo.com<p> 
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