diff --git a/src/apps/molresponse/FrequencyResponse.cpp b/src/apps/molresponse/FrequencyResponse.cpp index 45f6d894b02..2e552e9f90a 100644 --- a/src/apps/molresponse/FrequencyResponse.cpp +++ b/src/apps/molresponse/FrequencyResponse.cpp @@ -598,7 +598,7 @@ Tensor QuadraticResponse::compute_beta(World &world) { auto apply_projector = [&](auto &xi) { return projector(xi); }; auto perturbation_A = generator(world, *this); - auto XA = -1.0 * x_data[0].first.copy(); + auto XA = 1.0 * x_data[0].first.copy(); // first step to compute beta is to construct the X_space representations of the virt/virt and occ/occ blocks of gamma