diff --git a/pyblock2/driver/block2main b/pyblock2/driver/block2main index 711dbd5e..7a8dc74c 100755 --- a/pyblock2/driver/block2main +++ b/pyblock2/driver/block2main @@ -3681,6 +3681,10 @@ if not pre_run: bra_info.set_bond_dimension_fci(bra_left_vacuum[j], vacuum) bra_info.set_bond_dimension(bond_dims[0]) bra_info.bond_dim = bond_dims[0] + + if bra_info.get_max_bond_dimension() == 0: + continue + bra = MPS(nevpt_ncas, ref_mps.center, ref_mps.dot) bra.initialize(bra_info) bra.random_canonicalize()