diff --git a/src/cipsi/selection.irp.f b/src/cipsi/selection.irp.f index 00ac915e..08595aea 100644 --- a/src/cipsi/selection.irp.f +++ b/src/cipsi/selection.irp.f @@ -815,7 +815,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d stop -1 endif pt2_matrix = dabs(pt2_matrix) - iwork(1:N_states) = maxloc(pt2_matrix,1) + iwork(1:N_states+1) = maxloc(pt2_matrix,DIM=1) do k=1,N_states e_pert(iwork(k)) = eigvalues(k) - E0(iwork(k)) enddo