[Wien] Interstitial magnetic moment

[delamora]

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-bounces at zeus.theochem.tuwien.ac.at> en nombre de Wien2k User <wien2k.user at 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-marks at northwestern.edu<mailto:L-marks at 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.user at gmail.com<mailto:wien2k.user at 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
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