[Wien] AFM calculation for NiO

Ye Zhu zhuy6 at univmail.cis.mcmaster.ca
Sun Oct 26 03:19:48 CET 2003


Dear wien users,

I want to do a AFM calculation for NiO. As I need to distinguish two Ni
atoms with opposite spins, so I think I have to construct a supercell
which reflects the magnetic structure of NiO. The space group for AFM
NiO I got from some literatures is R-3m, but I didn't find any
information about lattice parameters and atomic positions. Can anyone
provide me these information or the way to search for these
information? Thanks a lot. 



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