diff --git a/source/module_elecstate/elecstate_lcao_tddft.cpp b/source/module_elecstate/elecstate_lcao_tddft.cpp index af79ad6793..196389404e 100644 --- a/source/module_elecstate/elecstate_lcao_tddft.cpp +++ b/source/module_elecstate/elecstate_lcao_tddft.cpp @@ -22,13 +22,8 @@ void ElecStateLCAO_TDDFT::psiToRho_td(const psi::Psi>& psi) // this part for calculating DMK in 2d-block format, not used for charge now // psi::Psi> dm_k_2d(); - - if (PARAM.inp.ks_solver == "genelpa" || PARAM.inp.ks_solver == "scalapack_gvx" - || PARAM.inp.ks_solver == "lapack") // Peize Lin test 2019-05-15 - { - elecstate::cal_dm_psi(this->DM->get_paraV_pointer(), this->wg, psi, *(this->DM)); - this->DM->cal_DMR(); - } + elecstate::cal_dm_psi(this->DM->get_paraV_pointer(), this->wg, psi, *(this->DM)); + this->DM->cal_DMR(); for (int is = 0; is < PARAM.inp.nspin; is++) { diff --git a/source/module_elecstate/potentials/H_TDDFT_pw.cpp b/source/module_elecstate/potentials/H_TDDFT_pw.cpp index 2c804c2b57..7d92e3959a 100644 --- a/source/module_elecstate/potentials/H_TDDFT_pw.cpp +++ b/source/module_elecstate/potentials/H_TDDFT_pw.cpp @@ -227,7 +227,7 @@ int H_TDDFT_pw::check_ncut(int t_type) break; case 3: - ncut = 1; + ncut = 2; break; // case 4: