triqs.operators.util.U_matrix.t2g_submatrix

triqs.operators.util.U_matrix.t2g_submatrix(U, convention='triqs')

Extract the t2g submatrix of the full d-manifold two- or four-index U matrix.

Parameters:

Unumpy.ndarray

Two- or four-index interaction matrix in the full d-manifold.

conventionstr, optional

Basis convention. One of:

• 'triqs': basis ordered as ("xy", "yz", "z^2", "xz", "x^2-y^2") (default),

• 'vasp': same as 'triqs',

• 'wien2k': basis ordered as ("z^2", "x^2-y^2", "xy", "yz", "xz"),

• 'wannier90': basis ordered as ("z^2", "xz", "yz", "x^2-y^2", "xy"),

• 'qe': same as 'wannier90'.

Returns:

numpy.ndarray

The t2g component of the interaction matrix.