diff --git a/my_pyscf/lassi/excitations.py b/my_pyscf/lassi/excitations.py index 4ef69f56..450da8b2 100644 --- a/my_pyscf/lassi/excitations.py +++ b/my_pyscf/lassi/excitations.py @@ -14,7 +14,7 @@ op = (op_o0, op_o1) LOWEST_REFOVLP_EIGVAL_THRESH = getattr (__config__, 'lassi_excitations_refovlp_eigval_thresh', 1e-9) -IMAG_SHIFT = getattr (__config__, 'lassi_excitations_imag_shift', 0.0001) +IMAG_SHIFT = getattr (__config__, 'lassi_excitations_imag_shift', 1e-6) def only_ground_states (ci0): '''For a list of sequences of CI vectors in the same Hilbert space,