Input/output (pengwann.io)#

Parse Wannier90 output files.

This module implements several parsing functions for reading Wannier90 output files. The read() function is a convenient wrapper for automatically parsing all the data required to construct an instance of the DescriptorCalculator class.

Functions#

read(seedname[, path])

Wrapper function for parsing various Wannier90 output files.

read_cell(path)

Parse a Wannier90 seedname.wout file to extract the cell vectors.

read_eigenvalues(path, num_bands, num_kpoints)

Parse the Kohn-Sham eigenvalues from a Wannier90 .eig file.

read_hamiltonian(path)

Parse the Wannier Hamiltonian from a Wannier90 seedname_hr.dat file.

read_u(path)

Parse the unitary matrices U^k from a Wannier90 _u.mat file.

read_xyz(path)

Parse the symbols and coordinates from a Wannier90 seedname_centres.xyz file.