<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div id="yui_3_16_0_1_1441797186411_12935" dir="ltr" class=""><span id="yui_3_16_0_1_1441797186411_12976" class="">kindly tell how i would get master in wien 2k</span></div><div id="yui_3_16_0_1_1441797186411_12935" dir="ltr" class=""><span id="yui_3_16_0_1_1441797186411_13084" class="">if you have any simple way to tell</span></div> <br><div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"> <font size="2" face="Arial"> On Thursday, August 13, 2015 4:46 PM, sikander Azam <sikander.physicst@gmail.com> wrote:<br> </font> </div> <br><br> <div class="y_msg_container"><div id="yiv8464386373"><div><div dir="ltr">Resp Sir <span style="font-size:12.8000001907349px;font-weight:bold;white-space:nowrap;">Laurence Marks</span><div><span style="font-size:12.8000001907349px;font-weight:bold;white-space:nowrap;">Thank sir for the reply.</span></div><div><span style="font-size:12.8000001907349px;white-space:nowrap;"><b>Regards</b></span></div><div><span style="font-size:12.8000001907349px;white-space:nowrap;"><b>sikander</b></span></div></div><div class="yiv8464386373gmail_extra"><br clear="none"><div class="yiv8464386373yqt5808324209" id="yiv8464386373yqtfd87968"><div class="yiv8464386373gmail_quote">On Thu, Aug 13, 2015 at 4:42 AM, Laurence Marks <span dir="ltr"><<a rel="nofollow" shape="rect" ymailto="mailto:L-marks@northwestern.edu" target="_blank" href="mailto:L-marks@northwestern.edu">L-marks@northwestern.edu</a>></span> wrote:<br clear="none"><blockquote class="yiv8464386373gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div dir="ltr">Ti is 4+ (valence), Ni is 2+. Unless you add oxygen vacancies it will always be metallic (degenerate semiconductor). There is nothing wrong!</div>
<div dir="ltr">---<br clear="none">
Professor Laurence Marks<br clear="none">
Department of Materials Science and Engineering<br clear="none">
Northwestern University<br clear="none">
<a rel="nofollow" shape="rect" target="_blank" href="http://www.numis.northwestern.edu/">http://www.numis.northwestern.edu</a><br clear="none">
Corrosion in 4D <a rel="nofollow" shape="rect" target="_blank" href="http://muri4d.numis.northwestern.edu/">http://MURI4D.numis.northwestern.edu</a><br clear="none">
Co-Editor, Acta Cryst A<br clear="none">
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br clear="none">
Albert Szent-Gyorgi</div><div class="yiv8464386373HOEnZb"><div class="yiv8464386373h5">
<div class="yiv8464386373gmail_quote">On Aug 13, 2015 06:36, "sikander Azam" <<a rel="nofollow" shape="rect" ymailto="mailto:sikander.physicst@gmail.com" target="_blank" href="mailto:sikander.physicst@gmail.com">sikander.physicst@gmail.com</a>> wrote:<br clear="none"><blockquote class="yiv8464386373gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
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<div dir="ltr">Resp. All
<div>I am doing calculations on TiO2, I made the super cell and doped Ni. I used GGA+U but when the calculations finished this give me the metallic nature, but using the GGA+U on TiO2 I got the almost 3.0 eV band.</div>
<div>Please help me in this regards</div>
<div>sikander</div>
</div>
</div>
</blockquote></div>
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