diff --git a/src/hartree_fock/10.hf.bats b/src/hartree_fock/10.hf.bats index 6f13e595..54845685 100644 --- a/src/hartree_fock/10.hf.bats +++ b/src/hartree_fock/10.hf.bats @@ -11,6 +11,7 @@ function run() { qp edit --check qp reset --mos qp set scf_utils n_it_scf_max 50 + qp set ao_one_e_ints lin_dep_cutoff 1.e-50 qp run scf # qp set_frozen_core energy="$(ezfio get hartree_fock energy)"