Utilities¶

gpaw.utilities.ibz2bz.ibz2bz(input_gpw: Union[pathlib.Path, str], output_gpw: Union[pathlib.Path, str] = None) → None [source]¶

Unfold IBZ to full BZ and write new gpw-file.

Example:

ibz2bz('abc.gpw')

This will create a ‘abc-bz.gpw’ file. Works also from the command line:

$ python3 -m gpaw.utilities.ibz2bz abc.gpw