diff --git a/source/module_hamilt_lcao/module_deltaspin/lambda_loop.cpp b/source/module_hamilt_lcao/module_deltaspin/lambda_loop.cpp index fef3e59944..e4870ff334 100644 --- a/source/module_hamilt_lcao/module_deltaspin/lambda_loop.cpp +++ b/source/module_hamilt_lcao/module_deltaspin/lambda_loop.cpp @@ -198,7 +198,7 @@ void SpinConstrain, base_device::DEVICE_CPU>::run_lambda_lo inner_loop_duration += duration; if (this->check_rms_stop(outer_step, i_step, rms_error, duration, inner_loop_duration)) { - add_scalar_multiply_2d(initial_lambda, dnu_last_step, 1.0, this->lambda_); + //add_scalar_multiply_2d(initial_lambda, dnu_last_step, 1.0, this->lambda_); break; } #ifdef __MPI