[QE-users] Regarding antiferromagnetic state energy calculation

[DHILSHADA V.N.]

Sir

I am Dhilshada V N , I am doing research in NIT Calicut.
I am studying the ferrocene system.I am using Quantum Espresso for
calculations. I want to calculate the ferromagnetic and antiferromagnetic
state energy of the system. It is possible to find the antiferromagnetic
and ferromagnetic coupling properties between two Fe atoms by considering a
supercell. But I need to calculate the FM and AFM state energies within one
Fe atom. Could you please help me sir?

Thanking you

Dhilshada V N
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