diff --git a/source/module_cell/module_symmetry/symmetry.cpp b/source/module_cell/module_symmetry/symmetry.cpp index 6057c43091..0f59bfe810 100644 --- a/source/module_cell/module_symmetry/symmetry.cpp +++ b/source/module_cell/module_symmetry/symmetry.cpp @@ -186,7 +186,7 @@ void Symmetry::analy_sys(const UnitCell &ucell, std::ofstream &ofs_running) lattice_to_group(tmp_nrot, tmp_nrotk, no_out); precs_try.push_back(epsilon); nrotks_try.push_back(tmp_nrotk); - } while (tmp_nrotk >= nrotks_try[0] && precs_try.size() < 5); + } while (tmp_nrotk >= nrotks_try[0] && epsilon > epsilon_input * 1.001 && precs_try.size() < 5); int valid_index = (tmp_nrotk < nrotks_try[0]) ? nrotks_try.size() - 2 : nrotks_try.size() - 1; #ifdef __DEBUG assert(valid_index >= 0);