diff --git a/source/source_hsolver/diago_dav_subspace.cpp b/source/source_hsolver/diago_dav_subspace.cpp index 5a525bd78d..8fa997774b 100644 --- a/source/source_hsolver/diago_dav_subspace.cpp +++ b/source/source_hsolver/diago_dav_subspace.cpp @@ -323,7 +323,7 @@ void Diago_DavSubspace::cal_grad(const HPsiFunc& hpsi_func, } // vcc = - vcc * eigenvalue - ModuleBase::matrix_mul_vector_op()(nbase, notconv, vcc, this->nbase_x, eigenvalue_iter->data(), -1.0, vcc, this->nbase_x); + ModuleBase::matrix_mul_vector_op()(nbase, notconv, vcc, this->nbase_x, e_temp_hd, -1.0, vcc, this->nbase_x); #ifdef __DSP ModuleBase::gemm_op_mt()