Spin & Magnetism

This section controls all magnetism-related aspects of the calculation.

• Spin: The master switch. 'non-polarized' is for standard calculations. 'polarized' is for collinear magnetism (up/down spins). 'non-collinear' allows spins to point in any direction. 'spin-orbit' includes relativistic spin-orbit coupling effects.
• DM.InitSpin: For magnetic calculations, this block provides the initial guess for the spin orientation on each atom, which is crucial for converging to the desired magnetic state.
• Spin.Fix: Allows you to constrain the total magnetic moment of the system to a specific value.
• Spin.OrbitStrength: A scaling factor (0 to 1) for the strength of spin-orbit coupling, useful for studying its impact gradually.