Lattice Plane and Crystal shape
The LatticePlaneSetting
object controls various settings related with lattice plane data.
Lattice Plane
Here we show a example of inserting a lattice plane in the unit cell.
>>> from batoms.build import bulk
>>> au = bulk("au", "Au", cubic = True)
>>> au.lattice_plane.settings[(1, 1, 0)] = {"distance": au.cell[0, 0]/np.sqrt(2)}
>>> au.draw()
One change a planesetting by.
>>> au.lattice_plane.settings[(1, 1, 1)].distance = 3.0
>>> au.draw()
Crystal shape
To build up crystal morphologies, the parameter crystal
should be set to True
. To change setting for a plane by:
>>> au.crystal_shape.setting[(1, 1, 1)] = {"distance": 8,
>>> "crystal": True,
>>> "symmetry": True,
>>> "color": [0, 0.2, 0.8, 1]}
>>> au.crystal_shape.setting[(0, 0, 1)] = {"distance": 10,
>>> "crystal": True,
>>> "symmetry": True,
>>> "color": [0.6, 0.2, 0, 1]}
>>> au.crystal_shape.draw()
When parameter symmetry
is True
, all the symmetrically equivalent indices are automatically generated.