[Pw_forum] how to calculate magnetic moment on each atoms

patriot pershing science35 at gmail.com
Wed Oct 5 09:06:24 CEST 2011


dear any one:
i have performed scf calculations for Ferromagnetic (FM) and
anti-ferromagnetic (AFM) state of C doped ZnO and i would known how to
calculate the magnetic moment on each atoms in my supercell as well as
electronic charge density for the spin up and down
best regards
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