Dear all, I do self-consistent calculation of supercell with 135 Fe atoms with constrained magnetization.
nspin = 2, fixed_magnetization(3) = 360.0, constrained_magnetization = 'total' , The output value of magnetic field: Magnetic field = 0.0785401 Ry In order to make a rough estimation of corresponding magnetic field in Tesla I should divide this value by mu_B and difference between total magnetic moments of system with constrain and without it? Thank you German Samolyuk Oak Rigde National Laboratory
