limit kain to run 2 more than maxsub. Might reduce noise at the end o…

…f the calculation

src/apps/molresponse/FrequencyResponse.cpp

@@ -280,7 +280,7 @@ auto FrequencyResponse::update_response(World &world, X_space &chi, XCOperator<d
 
     auto [new_res, bsh] = update_residual(world, chi, new_chi, r_params.calc_type(), old_residuals, xres_old);
     inner_to_json(world, "r_x", response_context.inner(new_res, new_res), iter_function_data);
-    if (iteration >= 0) {// & (iteration % 3 == 0)) {
+    if (iteration >= 0 && iteration < r_params.maxsub() + 2) {// & (iteration % 3 == 0)) {
         new_chi = kain_x_space_update(world, chi, new_res, kain_x_space);
     }
     inner_to_json(world, "x_update", response_context.inner(new_chi, new_chi), iter_function_data);