diff --git a/README.md b/README.md index 92f054f..b2ce648 100644 --- a/README.md +++ b/README.md @@ -73,9 +73,9 @@ random_structure.to(filename="random_TM4.vasp", fmt="poscar") sro = SRO("random_TM4.vasp", anion_a="F", anion_b="O", cation="Li") status = sro.run( max_steps=1000, - target_alpha=-0.05, - target_alpha_LiLi=0.0, - tolerance=0.05, + target_alpha=-0.2, + target_alpha_LiLi=0.06, + tolerance=0.01, random_seed=42, ) print(status)