Indeed, investigating the migration path from configurations a to b and, in doing so, reusing the wave functions of the previous migration step the final structure, i.e. configuration b, was obtained with zero magnetization and an increase in configurational energy by \unit[0.2]{eV}.\r
Obviously a different energy minimum of the electronic system is obatined indicating hysteresis behavior.\r
However, since the total energy is lower for the magnetic result it is believed to constitute the real, i.e. global, minimum with respect to electronic minimization.\r
Indeed, investigating the migration path from configurations a to b and, in doing so, reusing the wave functions of the previous migration step the final structure, i.e. configuration b, was obtained with zero magnetization and an increase in configurational energy by \unit[0.2]{eV}.\r
Obviously a different energy minimum of the electronic system is obatined indicating hysteresis behavior.\r
However, since the total energy is lower for the magnetic result it is believed to constitute the real, i.e. global, minimum with respect to electronic minimization.\r