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 >
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