jarvis.analysis.topological.spillage

Code to calculate spin-orbit spillage.

Reference: https://www.nature.com/articles/s41598-019-45028-y https://www.nature.com/articles/s41524-020-0319-4 https://arxiv.org/abs/2102.00237

Module Contents

Classes

Spillage

Spin-orbit spillage criteria.

class jarvis.analysis.topological.spillage.Spillage(wf_noso='', wf_so='')

Bases: object

Spin-orbit spillage criteria.

Predict whether a material is topologically non-trival. The spillage criteria physically signifies number of band-inverted electrons. A non-zero, high value (generally >0.5) suggests non-trivial behavior

isclose(n1, n2, rel_tol=1e-07)

Check if n1 and n2 are close.

orth(A)

Orthogonalize a vector.

overlap_so_spinpol()

Calculate spillage.