triqs_dft_tools.trans_basis.TransBasis.calculate_diagonalisation_matrix
- TransBasis.calculate_diagonalisation_matrix(prop_to_be_diagonal='eal', calc_in_solver_blocks=False)[source]
Calculates the diagonalisation matrix w, and stores it as member of the class.
- Parameters:
- prop_to_be_diagonalstring, optional
Defines the property to be diagonalized.
‘eal’ : local hamiltonian (i.e. crystal field)
‘dm’ : local density matrix
- calc_in_solver_blocksbool, optional
Whether the property shall be diagonalized in the full sumk structure, or just in the solver structure.
- Returns:
- wsqrdouble
Measure for the degree of rotation done by the diagonalisation. wsqr=1 means no rotation.