WannierIO.jl

A Julia package for reading/writing Wannier90 files.

The package is designed to be minimalistic to allow easy reuse in other packages.

This package originates from the IO part of the Wannier.jl package.

Wannier90 files

Input files:

• amn
• mmn
• eig
• chk
• UNK
• spn

Also support parsing both plain text and binary formats (in Fortran language, called formatted and unformatted IO, respectively) for some files, e.g., chk and UNK.

Output files:

• *_band.dat
• *_tb.dat
• *_wsvec.dat
• *_hr.dat
• *_r.dat
• xsf
• cube
• ...

Quantum ESPRESSO files

To support comparing Wannier-interpolated band structures with density function theory (DFT) bands, there are also some functions to parse Quantum ESPRESSO (QE) output files:

• xml
• bands.dat generated by QE bands.x