spin_soc
This Spin3 keyword controls whether the descriptor can couple spin direction to the local spatial environment:
spin_soc <flag>
The flag can be 0 or 1 and defaults to 1. It is used only with
spin_version 1.
Value |
Rotational symmetry represented by the descriptor |
|---|---|
0 |
independent rotations of positions and spins |
1 |
joint rotations of positions and axial spin vectors (default) |
With value 0, Spin3 retains only the separately spin-rotation-invariant subset. With value 1, it also includes scalar contractions between spin and spatial rank-1/rank-2 objects up to spin_l_max. The flag changes the descriptor’s allowed information flow; it does not impose a particular analytic SOC Hamiltonian.