API Documentation¶
PyBEC¶
PyBEC Python package for extracting and manipulating Born Effective Charges from QuantumEspresso Output
Modules
analysis.py Module for manipulating data from QuantumEspresso Output after Parsing |
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output.py Module for outputting volumetric data to standard formats |
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parsers.py Module that mainly deals with extracting information from QuantumEspresso Output |
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plotters.py Several convenience functions for plotting Born Effective Charges in various ways. |
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utils.py Module with some helpful methods for converting between data structures. |