[Wien] Interstitial magnetic moment

[Wien2k User]

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
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> Co-Editor, Acta Cryst A
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