[Wien] About the magnetic moment of vanadium in vanadium sulphide

Abderrahmane Reggad jazairdz at gmail.com
Sat Sep 2 12:24:20 CEST 2017


Dear wien2k users

I have calculated the magnetic moment of  vanadium sulphide in NiAs
structure using the EECE méthod with alpha parameter equals to 0.05.

despite the fact that the number of inpariated electrons is equal to 3 I
found that the magnetic moment of vanadium is equal to 0.05 MB which is
inconsistent with the prediction of Hund.


Best regards
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