pymatgen.analysis.piezo module

This module provides classes for the Piezoelectric tensor

class PiezoTensor(input_array, tol=0.001)

Bases: pymatgen.core.tensors.Tensor

This class describes the 3x6 piezo tensor in Voigt-notation

Create an PiezoTensor object. The constructor throws an error if the shape of the input_matrix argument is not 3x3x3, i. e. in true tensor notation. Note that the constructor uses __new__ rather than __init__ according to the standard method of subclassing numpy ndarrays.

Parameters

input_matrix (3x3x3 array-like) – the 3x6 array-like representing the piezo tensor

classmethod from_vasp_voigt(input_vasp_array)

Parameters

input_vasp_array (nd.array) – Voigt form of tensor.

Returns

PiezoTensor