From 089fdb09a0cc3d21154fd7e59d1170a65860de6e Mon Sep 17 00:00:00 2001 From: kirk0830 Date: Sun, 2 Jun 2024 10:06:11 +0800 Subject: [PATCH] correct the use of orb_con in esolver_ks_lcao_elec --- source/module_esolver/esolver_ks_lcao_elec.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/source/module_esolver/esolver_ks_lcao_elec.cpp b/source/module_esolver/esolver_ks_lcao_elec.cpp index 7ce8e65825..830cad8287 100644 --- a/source/module_esolver/esolver_ks_lcao_elec.cpp +++ b/source/module_esolver/esolver_ks_lcao_elec.cpp @@ -109,7 +109,7 @@ void ESolver_KS_LCAO::beforesolver(const int istep) if (GlobalV::GAMMA_ONLY_LOCAL) { nsk = GlobalV::NSPIN; - ncol = this->orb_con.ParaV->ncol_bands; + ncol = this->orb_con.ParaV.ncol_bands; if (GlobalV::KS_SOLVER == "genelpa" || GlobalV::KS_SOLVER == "lapack_gvx" || GlobalV::KS_SOLVER == "pexsi" || GlobalV::KS_SOLVER == "cusolver") {