[Wien] Interstitial magnetic moment

[Wien2k User]

that's exactly what I need as information, thank you very much

Le ven. 19 avr. 2019 à 18:07, delamora <delamora at 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-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> 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>
> 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 at 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 at 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
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190419/e045b787/attachment.html>