<div dir="ltr"><div dir="ltr"><div dir="ltr">that's exactly what I need as information, thank you very much</div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Le ven. 19 avr. 2019 à 18:07, delamora <<a href="mailto:delamora@unam.mx">delamora@unam.mx</a>> a écrit :<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
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Free electrons do not contribute to the magnetic moment, this magnetic moment is due to localized electrons around atoms, but go out of the MT sphere.<br>
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<div id="gmail-m_-6111754523381038139divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" color="#000000" face="Calibri, sans-serif"><b>De:</b> Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a>> en nombre de Wien2k User <<a href="mailto:wien2k.user@gmail.com" target="_blank">wien2k.user@gmail.com</a>><br>
<b>Enviado:</b> viernes, 19 de abril de 2019 07:01 a. m.<br>
<b>Para:</b> A Mailing list for WIEN2k users<br>
<b>Asunto:</b> Re: [Wien] Interstitial magnetic moment</font>
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<div dir="ltr">i have a metal but I also want to interpret the value of the interstitial moment and say that it is because of the mettalic behavior? is it true or not? otherwise I have verfier the strcture of band and I have a metal.<br>
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<div dir="ltr" class="gmail-m_-6111754523381038139x_gmail_attr">Le ven. 19 avr. 2019 à 13:34, Laurence Marks <<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a>> a écrit :<br>
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No it does not.</div>
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To work out what is going on <b>you</b> (note bold) should look at the DOS and/or the output files, in particular case.scf2up/dn and case.scfm.</div>
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<div dir="ltr" class="gmail-m_-6111754523381038139x_gmail_attr">On Fri, Apr 19, 2019 at 12:15 PM Wien2k User <<a href="mailto:wien2k.user@gmail.com" target="_blank">wien2k.user@gmail.com</a>> wrote:<br>
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<div dir="ltr">Dear WIEN2k users;
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<div>does a relatively large value (1muB-2muB) of the interstitial magnetic moment mean a metallic behavior of the material as a result of the presence of electrons in this region? if it is no, what is the origin of this value?<br>
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<div dir="ltr"><span style="font-size:12.8px">Professor Laurence Marks</span><br>
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<div dir="ltr"><span style="font-size:12.8px">"Research is to see what everybody else has seen, and to think what nobody else has thought", </span><span style="font-size:12.8px">Albert Szent-Gyorgi</span><br>
<a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a> ; <span style="font-size:12.8px">Corrosion in 4D:
</span><a href="http://MURI4D.numis.northwestern.edu" style="font-size:12.8px" target="_blank">MURI4D.numis.northwestern.edu</a>
<div><span style="font-size:12.8px">Partner of the CFW 100% program for gender equity, </span><a href="http://www.cfw.org/100-percent" style="font-size:12.8px" target="_blank">www.cfw.org/100-percent</a></div>
<div>Co-Editor, Acta Cryst A</div>
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