Fix of the cell threshold

SSCHAcode · Dec 13, 2023 · ab7e2b3 · ab7e2b3
1 parent e298dcd
commit ab7e2b3
Showing 1 changed file with 4 additions and 1 deletion.
diff --git a/cellconstructor/symmetries.py b/cellconstructor/symmetries.py
@@ -73,7 +73,10 @@ def __init__(self, structure, threshold = 1e-5):
             raise ValueError("Error, symmetry operation can be initialize only if the structure has a unit cell")
 
         self.structure = structure
-        self.threshold = np.float64(threshold)
+
+        # Max dimension 
+        max_dimension = np.max(self.structure.unit_cell.ravel())
+        self.threshold = np.float64(threshold / max_dimension)
 
         # Setup the threshold 
         symph.symm_base.set_accep_threshold(self.threshold)