API Documentation

PyBEC

PyBEC Python package for extracting and manipulating Born Effective Charges from QuantumEspresso Output

Modules

pybec.analysis

analysis.py Module for manipulating data from QuantumEspresso Output after Parsing

pybec.output

output.py Module for outputting volumetric data to standard formats

pybec.parsers

parsers.py Module that mainly deals with extracting information from QuantumEspresso Output

pybec.plotters

plotters.py Several convenience functions for plotting Born Effective Charges in various ways.

pybec.utils

utils.py Module with some helpful methods for converting between data structures.