The difference between magnetic configuration of electrons and atoms

There is a difference between the magnetic configuration of electrons and atoms.

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: