[Main] job = akmc temperature = 700 finite_difference=0.001 [Potential] potential = morse_pt [Optimizer] converged_force = 1e-3 max_iterations = 1000 [AKMC] confidence = 1.1 confidence_scheme=dynamics thermally_accessible_window=99999 [Process Search] minimize_first = true [Communicator] type=local number_of_cpus=8 num_jobs=8 [Nudged Elastic Band] images=3 max_iterations=100 spring=5.0 climbing_image_method=true converged_force=0.1 [Optimizer] max_iterations=1000 opt_method=lbfgs max_move=0.2 converged_force=1e-3 [Saddle Search] method = dynamics dynamics_temperature = 2800 dynamics_state_check_interval = 600 dynamics_record_interval = 40 dynamics_linear_interpolation = true max_energy = 1000 max_iterations = 300 [Parallel Replica] dephase_time=0 [Dynamics] time_step = 2.0 time = 10000 thermostat=langevin langevin_friction=0.004 [Dimer] rotations_max=20 converged_angle=5.0 [Prefactor] default_value=5e12