diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/DM_k.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/DM_k.cpp index c51e2ba008..b9dec132ad 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/DM_k.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/DM_k.cpp @@ -361,7 +361,7 @@ void Local_Orbital_Charge::cal_dk_k(const Grid_Technique >, const ModuleBase:: else if (!GlobalV::NONCOLIN) // GlobalV::DOMAG_Z { this->DM_R[1][gstart + iv] = 0.0; - this->DM_R[1][gstart + iv] = 0.0; + this->DM_R[2][gstart + iv] = 0.0; this->DM_R[3][gstart + iv] = DM_ATOM[0][iv].real() - DM_ATOM[3][iv].real(); } else // soc with no mag diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.cpp index 3fc5d3a082..eb1ff80bc9 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.cpp @@ -30,12 +30,12 @@ void OperatorLCAO::get_hs_pointers() #endif this->new_e_iteration = false; } + ModuleBase::timer::tick("OperatorLCAO", "get_hs_pointers"); } template<> void OperatorLCAO>::get_hs_pointers() { - ModuleBase::timer::tick("OperatorLCAO", "get_hs_pointers"); this->hmatrix_k = this->LM->Hloc2.data(); this->smatrix_k = this->LM->Sloc2.data(); }