diff --git a/source/source_io/module_parameter/input_parameter.h b/source/source_io/module_parameter/input_parameter.h index 2222cd4c19..c4d1852769 100644 --- a/source/source_io/module_parameter/input_parameter.h +++ b/source/source_io/module_parameter/input_parameter.h @@ -123,8 +123,7 @@ struct Input_para bool lspinorb = false; ///< consider the spin-orbit interaction bool noncolin = false; ///< using non-collinear-spin - double soc_lambda = 1.0; ///< The fraction of averaged SOC pseudopotential - ///< is given by (1-soc_lambda) + double soc_lambda = 1.0; ///< The fraction of SOC based on scalar relativity (SR) of the pseudopotential // ============== #Parameters (3.LCAO) =========================== int nb2d = 0; ///< matrix 2d division. diff --git a/source/source_io/read_input_item_elec_stru.cpp b/source/source_io/read_input_item_elec_stru.cpp index 8daabfdc0e..1af097c405 100644 --- a/source/source_io/read_input_item_elec_stru.cpp +++ b/source/source_io/read_input_item_elec_stru.cpp @@ -716,8 +716,7 @@ void ReadInput::item_elec_stru() } { Input_Item item("soc_lambda"); - item.annotation = "The fraction of averaged SOC pseudopotential is " - "given by (1-soc_lambda)"; + item.annotation = "The fraction of SOC based on scalar relativity (SR) of the pseudopotential"; read_sync_double(input.soc_lambda); this->add_item(item); } diff --git a/source/source_io/test/support/INPUT b/source/source_io/test/support/INPUT index 5e70e8ef95..8460be22dc 100644 --- a/source/source_io/test/support/INPUT +++ b/source/source_io/test/support/INPUT @@ -36,7 +36,7 @@ mem_saver 0 #Only for nscf calculations. if set to 1, then diago_proc 4 #the number of procs used to do diagonalization nbspline -1 #the order of B-spline basis wannier_card none #input card for wannier functions -soc_lambda 1 #The fraction of averaged SOC pseudopotential is given by (1-soc_lambda) +soc_lambda 1 #The fraction of SOC based on scalar relativity (SR) of the pseudopotential cal_force 0 #if calculate the force at the end of the electronic iteration out_freq_ion 0 #the frequency ( >= 0 ) of ionic step to output charge density and wavefunction. 0: output only when ion steps are finished device cpu #the computing device for ABACUS