jarvis.analysis.defects.surface

Modules for making crystallographic plane surfaces.

Module Contents

Classes

Surface

Get surface object of arbitrary atoms object and miller index.

Functions

wulff_normals(miller_indices=[], surface_energies=[])

Obtain Wulff Normals.

jarvis.analysis.defects.surface.wulff_normals(miller_indices=[], surface_energies=[])[source]

Obtain Wulff Normals.

Args:

miller_indices : Miller indices

surface_energies : corresponding surface energies

Returns: Surface normals

class jarvis.analysis.defects.surface.Surface(atoms=None, indices=[0, 0, 1], layers=3, thickness=25, vacuum=18.0, tol=1e-10, from_conventional_structure=True)[source]

Bases: object

Get surface object of arbitrary atoms object and miller index.

to_dict(self)[source]

Convert to a dictionary.

classmethod from_dict(self, d={})[source]

Construct class from a dictionary.

make_surface(self)[source]

Generate specified surface. Modified from ase package.