INNER CODE UNIT · Python

get_zt

SMTG-Bham/ThermoParser · tp/cli/cli.py:681

def get_zt(transport_file, kappa, dtype, doping, direction, temperature, max):
    """Calculates and prints the ZT at given conditions.

    Requires electronic input file, and preferably phononic input, else
    lattice thermal conductivity defaults to 1.
    """

    equants = ['conductivity', 'seebeck', 'electronic_thermal_conductivity']
    ltc = 'lattice_thermal_conductivity'

    try:
        edata = tp.data.load.amset(transport_file, equants)
    except UnicodeDecodeError:
        try:
            edata = tp.data.load.boltztrap(transport_file, equants, doping=dtype)
        except ValueError:
            edata = tp.data.load.boltztrap2(transport_file, equants)
    if 'zt' in edata:

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