From ed83a003520b73667d5c11f93861cfe6add36711 Mon Sep 17 00:00:00 2001 From: maki49 <1579492865@qq.com> Date: Mon, 10 Jul 2023 02:18:46 +0800 Subject: [PATCH] fix the case both symmetry and symmetry_prec increasing case in cell-relax --- source/module_cell/module_symmetry/symmetry.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/source/module_cell/module_symmetry/symmetry.cpp b/source/module_cell/module_symmetry/symmetry.cpp index fe888f427b..00f8a56930 100644 --- a/source/module_cell/module_symmetry/symmetry.cpp +++ b/source/module_cell/module_symmetry/symmetry.cpp @@ -149,7 +149,7 @@ void Symmetry::analy_sys(const UnitCell &ucell, std::ofstream &ofs_running) ofs_running << "WARNING: current `symmetry_prec` is too small to give the right number of symmtry operations." << std::endl; ofs_running << " Changed `symmetry_prec` to " << epsilon <<"." << std::endl; } - else if (tmp_nrotk > this->nrotk) + if (tmp_nrotk > this->nrotk) { this->nrotk = tmp_nrotk; ofs_running << "Find new symmtry operations during cell-relax." << std::endl;