util.write_kslice_to_h5

Reads the -kslice-bands.dat and the -kslice-coord.dat file (as Wannier90 writes them). The -kslice-bands.dat contains the band energies corresponding to the slices through k-space given in _kslice-coords.dat. The latter has the list of k points in 2D direct coordinates.

This only works for k independent projectors as from a TB model or from Wannier90.

Writes all the information back into the h5 archive in the group ‘dft_bands_input’, which is needed for plotting DMFT bands with SumkDFTTools spaghettis.

Adapted from “write_bands_to_h5.py” by Sophie Beck, 2021

util.write_kslice_to_h5._read_bands(seedname)

Reads the -kslice-bands.dat and the -kslice-coord.dat file.

util.write_kslice_to_h5._read_h5_dft_input_proj_mat(archive_name)

Reads the projection matrix from the h5. In the following, it is assumed to be k independent.

util.write_kslice_to_h5._write_dft_bands_input_to_h5(archive_name, data)

Writes all the information back to the h5 archive. data is a dict.

util.write_kslice_to_h5.main(seedname, filename_archive=None)

Executes the program on the band data from the files <seedname>_bands.dat and <seedname>_bands.kpt. If no seedname_archive is specified, <seedname>.h5 is used.