diff --git a/src/raman.cpp b/src/raman.cpp index 7ea2789..a4a98fa 100644 --- a/src/raman.cpp +++ b/src/raman.cpp @@ -179,8 +179,7 @@ namespace ufo auto&& [i_of_qpoint, i_of_mode] = i; auto&& _ = cell.Qpoint[i_of_qpoint].Mode[i_of_mode]; auto&& susceptibility = config.Susceptibility[i_of_qpoint][i_of_mode]; - Eigen::Matrix3d raman_tensor = (susceptibility["+"] - susceptibility["-"]) / 2 - / ratio / raman_input.MaxDisplacement; + Eigen::Matrix3d raman_tensor = (susceptibility["+"] - susceptibility["-"]) / 2 / ratio; _.RamanTensor = raman_tensor | biu::fromEigen; _.WeightOnRaman = config.Polarization[0].transpose() * raman_tensor * config.Polarization[1]; log.info("{}:{:.2f}:{}:{:.2f} {}"_f