From 3647f1bf0c1a83436c10ba3b3367e3c194d5ac9b Mon Sep 17 00:00:00 2001 From: maki49 <1579492865@qq.com> Date: Wed, 12 Nov 2025 21:01:14 +0800 Subject: [PATCH] fix the search radius in L calculator --- source/source_io/ctrl_scf_lcao.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/source/source_io/ctrl_scf_lcao.cpp b/source/source_io/ctrl_scf_lcao.cpp index 590451b32d..889e50f926 100644 --- a/source/source_io/ctrl_scf_lcao.cpp +++ b/source/source_io/ctrl_scf_lcao.cpp @@ -278,7 +278,7 @@ void ModuleIO::ctrl_scf_lcao(UnitCell& ucell, ModuleIO::AngularMomentumCalculator mylcalculator( inp.orbital_dir, ucell, - inp.search_radius, + orb.get_rcutmax_Phi(), inp.test_deconstructor, inp.test_grid, inp.test_atom_input,