From c91913626f472fcfdc4c255691ea530d7caa22f4 Mon Sep 17 00:00:00 2001 From: maki49 <1579492865@qq.com> Date: Tue, 12 May 2026 21:10:47 +0800 Subject: [PATCH] small fix in exx symmetry --- .../module_ri/module_exx_symmetry/irreducible_sector_bvk.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/source/source_lcao/module_ri/module_exx_symmetry/irreducible_sector_bvk.cpp b/source/source_lcao/module_ri/module_exx_symmetry/irreducible_sector_bvk.cpp index 8b8879ee1d2..96811c9b6f1 100644 --- a/source/source_lcao/module_ri/module_exx_symmetry/irreducible_sector_bvk.cpp +++ b/source/source_lcao/module_ri/module_exx_symmetry/irreducible_sector_bvk.cpp @@ -12,7 +12,7 @@ namespace ModuleSymmetry { return (symm.equal(a.e11, b.e11) && symm.equal(a.e12, b.e12) && symm.equal(a.e13, b.e13) && symm.equal(a.e21, b.e21) && symm.equal(a.e22, b.e22) && symm.equal(a.e23, b.e23) && - symm.equal(a.e31, b.e31) && symm.equal(a.e23, b.e23) && symm.equal(a.e33, b.e33)); + symm.equal(a.e31, b.e31) && symm.equal(a.e32, b.e32) && symm.equal(a.e33, b.e33)); }; std::vector isymbvk2isym(bvkgmat.size(), -1); for (int isymbvk = 0;isymbvk < bvkgmat.size();++isymbvk)