pytopomat.z2pack_caller

Interface to Z2Pack.

Classes

Z2Output([result, surface, result_dict, …])

Class for storing results of band topology analysis.

Z2PackCaller([input_dir, surface, vasp_cmd])

A class for analyzing band structure topology and diagnosing non-trivial topological phases.
class pytopomat.z2pack_caller.Z2Output(result=None, surface=None, result_dict=None, chern_number=None, z2_invariant=None)[source]

Bases: monty.json.MSONable

Class for storing results of band topology analysis.

Parameters

  • result (object) – Output from z2pack.surface.run()

  • surface (str) – TRI BZ surface label.

  • result_dict (dict) – Dict representation of z2pack output.

  • chern_number (float) – Chern number.

  • z2_invariant (int) – Z2 invariant.

as_dict()[source]

Sanitization required for z2pack SurfaceResult object.

classmethod from_dict(d)[source]
Parameters

d – Dict representation.

Returns

MSONable class.