1- Magnetic configuration of elctrons
We can summarize the magnetic configuration of electrons by the following pictures and is known for every one.
2- Magnetic configuration of atoms
In
antiferromagnetic calculation we need to do magnetic configuration for
atoms using the instgen_lapw program implemented in the wien2k code.
In
the case of the example of the compound NiO we need to create a
magnetic structure with 2 independant atoms Ni1 and Ni2 and we proceed
to configure Ni1 as Up and Ni2 as Down. Now we will explain the meaning
of this magnetic configuration which is different from of that of
electrons. The explanation is done through the following picture:
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