that's exactly what I need as information, thank you very much Le ven. 19 avr. 2019 à 18:07, delamora <delam...@unam.mx> a écrit :
> 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. > > ------------------------------ > *De:* Wien <wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de Wien2k > User <wien2k.u...@gmail.com> > *Enviado:* viernes, 19 de abril de 2019 07:01 a. m. > *Para:* A Mailing list for WIEN2k users > *Asunto:* Re: [Wien] Interstitial magnetic moment > > 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. > > Thank you > > Le ven. 19 avr. 2019 à 13:34, Laurence Marks <l-ma...@northwestern.edu> a > écrit : > > No it does not. > > To work out what is going on *you* (note bold) should look at the DOS > and/or the output files, in particular case.scf2up/dn and case.scfm. > > On Fri, Apr 19, 2019 at 12:15 PM Wien2k User <wien2k.u...@gmail.com> > wrote: > > Dear WIEN2k users; > > 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? > > > > -- > Professor Laurence Marks > "Research is to see what everybody else has seen, and to think what nobody > else has thought", Albert Szent-Gyorgi > www.numis.northwestern.edu ; Corrosion in 4D: > MURI4D.numis.northwestern.edu > Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent > Co-Editor, Acta Cryst A > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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