diff --git a/config/Fe10Cr20Al_normal_200_large.in b/config/Fe10Cr20Al_normal_200_large.in new file mode 100644 index 0000000000000000000000000000000000000000..d84991fc2dd8ca3291065c88c7c9a6030242df80 --- /dev/null +++ b/config/Fe10Cr20Al_normal_200_large.in @@ -0,0 +1,34 @@ +[Job parameters] +job_name = Fe10Cr20Al_normal_200_large +report_file = True + +[Simulation parameters] +sim_type = ase_sim +kT = 200 +n_exchanges = 20000000 +n_frames = 200 +rand_ox = True + +[Lattice parameters] +bounds_scale = 30 +x_scale = 1 +y_scale = 1 +z_scale = 1 +basis = Fe +empty_space = 0.5 +pot_filename = potentials_normal.txt + +[Bulk dopants] +Cr = 0.10 +Al = 0.20 + +[Figure parameters] +profile_mean_range = 150, 200 +profile_anim_range = False +energy_range = True +diff_const = True +Fe = s,#e06633 +Cr = o,#8a99c7 +Al = ^,#bfa6a6 +O = D,#ff0d0d +X = x,#000000