diff --git a/src/mo_one_e_ints/mo_overlap.irp.f b/src/mo_one_e_ints/mo_overlap.irp.f index 1301d473..796c9fde 100644 --- a/src/mo_one_e_ints/mo_overlap.irp.f +++ b/src/mo_one_e_ints/mo_overlap.irp.f @@ -53,7 +53,7 @@ BEGIN_PROVIDER [ complex*16, mo_overlap_complex,(mo_num,mo_num) ] !$OMP mo_num,ao_num,lmax) do j=1,mo_num do i= 1,mo_num - mo_overlap(i,j) = (0.d0,0.d0) + mo_overlap_complex(i,j) = (0.d0,0.d0) do n = 1, lmax,4 do l = 1, ao_num mo_overlap_complex(i,j) = mo_overlap_complex(i,j) + dconjg(mo_coef_complex(l,i)) * &