jarvis.analysis.defects.surface =============================== .. py:module:: jarvis.analysis.defects.surface .. autoapi-nested-parse:: Modules for making crystallographic plane surfaces. Classes ------- .. autoapisummary:: jarvis.analysis.defects.surface.Surface Functions --------- .. autoapisummary:: jarvis.analysis.defects.surface.wulff_normals Module Contents --------------- .. py:function:: wulff_normals(miller_indices=[], surface_energies=[]) Obtain Wulff Normals. Args: miller_indices : Miller indices surface_energies : corresponding surface energies Returns: Surface normals .. py:class:: Surface(atoms=None, indices=[0, 0, 1], layers=3, thickness=None, vacuum=18.0, tol=1e-10, from_conventional_structure=True, use_thickness_c=True) Bases: :py:obj:`object` Get surface object of arbitrary atoms object and miller index. .. py:attribute:: indices .. py:attribute:: from_conventional_structure :value: True .. py:attribute:: tol :value: 1e-10 .. py:attribute:: vacuum :value: 18.0 .. py:attribute:: layers :value: 3 .. py:attribute:: thickness :value: None .. py:attribute:: use_thickness_c :value: True .. py:method:: to_dict() Convert to a dictionary. .. py:method:: from_dict(d={}) :classmethod: Construct class from a dictionary. .. py:method:: make_surface() Generate specified surface. Modified from ase package.