[QE-users] Calculation of high spin and low spin states in a single atom

[DHILSHADA V.N.]

 Hai all
My system contains graphene doped with one Nitrogen atom. I want to
calculate the ferromagnetic and antiferromagnetic energy of this system. As
per my knowledge ferro magnetic state energy calculated by taking
parameters
nspin= 2
starting magnetisation= value between -1 and +1
The system contains only one Nitrogen.How to calculate antiferromagnetic
state energy?  Could you please help me to solve this problem?
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