We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent 891e4a7 commit 25ed6bfCopy full SHA for 25ed6bf
sisl/geom/bilayer.py
@@ -23,8 +23,8 @@ def bilayer(bond=1.42, bottom_atom=None, top_atom=None, stacking='AB',
23
atom (or atoms) in the bottom layer. Defaults to ``Atom(6)``
24
top_atom : Atom, optional
25
atom (or atoms) in the top layer, defaults to `bottom_atom`
26
- stacking : {'AB', 'AA'}
27
- stacking sequence of the bilayer
+ stacking : {'AB', 'AA', 'BA'}
+ stacking sequence of the bilayer, where XY means that site X in bottom layer coincides with site Y in top layer
28
twist : tuple of int, optional
29
integer coordinates (m, n) defining a commensurate twist angle
30
separation : float, optional
@@ -54,6 +54,8 @@ def bilayer(bond=1.42, bottom_atom=None, top_atom=None, stacking='AB',
54
top = top.move([0, 0, separation])
55
elif stacking.lower() == 'ab':
56
top = top.move([bond, 0, separation])
57
+ elif stacking.lower() == 'ba':
58
+ top = top.move([-bond, 0, separation])
59
60
# Compute twist angle
61
m, n = twist
0 commit comments