INNER CODE UNIT · Python

boltztrap

SMTG-Bham/ThermoParser · tp/cli/cli.py:817

def boltztrap(tmin, tmax, tstep, dmin, dmax, ndope, relaxation_time, lpfac,
              kmode, run, analyse, kpoints, vasprun, output):
    """Runs BoltzTraP and sends data to hdf5."""

    doping = np.geomspace(dmin, dmax, ndope)

    tp.data.run.boltztrap(tmax=tmax, tstep=tstep, tmin=tmin, doping=doping,
                          ke_mode=kmode, vasprun=vasprun, kpoints=kpoints,
                          relaxation_time=relaxation_time, lpfac=lpfac,
                          run=run, analyse=analyse, output=output)

    return


@run.command()
@adminsitrative_options

@click.option('--tmin',

View source record →