pengwann.io.read

io.read(seedname, path='.')

Wrapper function for parsing various Wannier90 output files.

In total, this function will parse:

• seedname.eig

• seedname_u.mat

• seedname_u_dis.mat (if disentanglement was used)

• seedname_hr.dat

Parameters:

seednamestr

The seedname (prefix for all output files) chosen in the prior Wannier90 calculation.

pathstr, optional

Filepath to the Wannier90 output files. Defaults to ‘.’ i.e. the current working directory.

Returns:

kpointsndarray of float

The k-point mesh used in the ab-initio calculation.

eigenvaluesndarray of float

The Kohn-Sham eigenvalues.

undarray of complex

The unitary matrices U^k that define the Wannier functions in terms of the canonical Bloch states.

hdict of {3-length tuple of intndarray of complex} pairs.

The Hamiltonian in the Wannier basis.

See also

read_eigenvalues

read_u

read_hamiltonian