[Main] job = akmc temperature = 700 random_seed = 42 [Potential] potential = morse_pt [Prefactor] default_value=1e12 [Optimizer] converged_force = 0.001 max_iterations = 5000 opt_method = qm time_step = 0.3 [AKMC] confidence = 1.1 [Process Search] minimize_first = False [Communicator] type = cluster client_path = ./dimer_ase.py number_of_CPUs = 2 num_jobs = 500 [Saddle Search] displace_least_coordinated_weight=1.0 displace_radius = 3.3 displace_magnitude= 0.3 min_mode_method = dimer max_energy = 10.0 [Dimer] rotations_max = 100 converged_angle = 5.0