A bit tighter

m-a-d-n-e-s-s · Oct 20, 2023 · 579bbff · 579bbff
1 parent 5be4dfb
commit 579bbff
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/apps/molresponse/FrequencyResponse.cpp b/src/apps/molresponse/FrequencyResponse.cpp
@@ -25,8 +25,8 @@ void FrequencyResponse::iterate(World &world) {
                                   r_params.dconv());//.01 .0001 .1e-5
     auto thresh = FunctionDefaults<3>::get_thresh();
     auto density_target = dconv * std::max(size_t(5.0), molecule.natom());
-    const double a_pow{0.573};
-    const double b_pow{-0.709};
+    const double a_pow{0.747};
+    const double b_pow{-0.012};
 
     const double x_relative_target = pow(thresh, a_pow) * pow(10, b_pow);//thresh^a*10^b
     Tensor<double> x_relative_residuals((int(m)));