I had chosen LDA+U in Geometry Optimization, Could anyone tell me the reason?
'LDA+U requested but occupancy matrix not present in hamiltonian_apply_slice
Current trace stack:
hamiltonian_apply_slice
hamiltonian_diagonalise_slice
secondd_get_u0
secondd_lr_phonon_perturbation
phonon_linear_response
phonon_dynamical_matrix
phonon_calculate_std_kpoints
phonon_calculate
castep'