From 218e8ad31e426b21fd91c51e3bb3d5e40a380778 Mon Sep 17 00:00:00 2001 From: maki49 <1579492865@qq.com> Date: Wed, 16 Oct 2024 19:02:44 +0800 Subject: [PATCH] fix after rebase --- source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp index aacaa742dc..c8b9e01b94 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp @@ -58,7 +58,8 @@ elecstate::DensityMatrix, double> Force_LCAO, double> edm(&kv, &pv, nspin); + const int nspin_dm = nspin == 2 ? 2 : 1; + elecstate::DensityMatrix, double> edm(&pv, nspin_dm, kv.kvec_d, kv.get_nks() / nspin_dm); //-------------------------------------------- // calculate the energy density matrix here.