diff --git a/src/sphere/sphere.cpp b/src/sphere/sphere.cpp index 020a176c873b610809c376f868212cd18dd1b1c4..c0e789ff35ed729e2323e551d4fdf01b1d091de1 100644 --- a/src/sphere/sphere.cpp +++ b/src/sphere/sphere.cpp @@ -312,11 +312,12 @@ void sphere(const string& config_file, const string& data_file, const string& ou } continue; // i132 } + // label 125 int nsh = c1->nshl[i132]; int ici = (nsh + 1) / 2; if (idfc == 0) { for (int ic = 0; ic < ici; ic++) - c2->dc0[ic] = sconf->get_dielectric_constant(ic, i132, 0); // WARNING: IDFC=0 is not tested! + c2->dc0[ic] = sconf->get_dielectric_constant(ic, i132, jxi488); // WARNING: IDFC=0 is not tested! } else { // IDFC != 0 if (jxi == 1) { for (int ic = 0; ic < ici; ic++) {