<html><head><meta http-equiv="Content-Type" content="text/html; charset=UTF-8"></head><body dir="auto"><div dir="auto"><div><br></div><div><br></div><div><div>http://www.nature.com/nnano/journal/v3/n2/fig_tab/nnano.2008.2_F1.html</div></div></div><div dir="auto"><br></div><div dir="auto"><br></div><div dir="auto"><br></div><div id="composer_signature" dir="rtl"><div style="font-size:85%;color:#575757" dir="auto">נשלח מסמארטפון ה-Samsung Galaxy שלי.</div></div><div><br></div><div style="font-size:100%;color:#000000" dir="rtl"><!-- originalMessage --><div>-------- הודעה מקורית --------</div><div>מאת: Peter Blaha <pblaha@theochem.tuwien.ac.at> </div><div>תאריך: 22.6.2017 16:51 (GMT+02:00) </div><div>אל: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> </div><div>נושא: Re: [Wien] estimation </div><div><br></div></div>The largest contribution is probably the spin suszeptibility.<br>You can calculated it with the procedure for NMR Knight shifts, see UG.<br><br>The susceptibility is then just the induced moment divided by the <br>external field.<br>Beware, there are a couple of different definitions of this <br>susceptibility, so the conversion of the simple result above into <br>experimental units depends a lot on that (see wikipedia, ...)<br><br>In addition there is the orbital susceptibility, which you obtain from <br>an NMR calculation.<br><br><br><br>On 06/22/2017 12:45 PM, Wien2k User wrote:<br>> Dear Wien2k Users;<br>> I am still waiting for an answer from Prof P.Blaha or Wien2k users.<br>><br>> "How can I estimate the magnetic susceptibility for a metalic compound<br>> with Wien2k?"<br>><br>> 2017-06-18 17:57 GMT+02:00 Wien2k User <wien2k.user@gmail.com<br>> <mailto:wien2k.user@gmail.com>>:<br>><br>> Dear Wien2k users,<br>><br>> How can I estimate the magnetic susceptibility for a metalic<br>> compound with Wien2k?<br>><br>><br>><br>><br>> _______________________________________________<br>> Wien mailing list<br>> Wien@zeus.theochem.tuwien.ac.at<br>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>> SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html<br>><br><br>-- <br><br> P.Blaha<br>--------------------------------------------------------------------------<br>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br>Email: blaha@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at<br>WWW: http://www.imc.tuwien.ac.at/TC_Blaha<br>--------------------------------------------------------------------------<br>_______________________________________________<br>Wien mailing list<br>Wien@zeus.theochem.tuwien.ac.at<br>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html<br></body></html>