Dear user (please properly sign your posts with name and affiliation,
we appreciate it!)
If you want to calculate the relative energies of a
ferromagnetic/antiferromagnetic ordering of two point defects in a
host matrix, then you must explicitly insert the two points defects in
your su
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 c
