soc

edrixs.soc.atom_hsoc(case, soc)

Return atomic spin-orbit coupling matrix $\overrightarrow{l}\cdot \overrightarrow{s}$ in complex spherical harmonics basis.

Parameters:

case: str

String label indicating atomic shell,

• ‘p’: for $p$ -shell.

• ‘t2g’: for $t_{2g}$ -shell.

• ‘d’: for $d$ -shell.

• ‘f’: for $f$ -shell.

soc: float

The strength of spin-orbit coupling.

Returns:

hsoc: 2d complex array

The spin-orbit coupling matrix.