API

API#

defermi.analysis

Analyse set of defect entries

defermi.chempots

Chemical potentials definitions and calculations

defermi.cli

Command line interface

defermi.corrections

Compute finite-size charge corrections

defermi.defects

Core defect objects

defermi.elasticity

Elastic defect properties

defermi.electronic_structure

Electronic structure, density of states, carrier concentrations

defermi.entries

Store data for individual defect calculation

defermi.generator

Generate defect objects

defermi.plotter

Plotting functions for defect calculations

defermi.structure

Tools for structure generation, defect identification and visualization

defermi.thermodynamics

Solve charge neutrality and compute defect equilibria

defermi.tools