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TEP_tools

Overview

TEP_tools is the python scripts to evalulate thermoelectric properties by using transmittance data calculated by OpenMX code.

  • eltran.py is a script to obtain the averaged transmittance in the first Brillouin zone.

  • eltep.py is a script to calculate electric conductance, Seebeck coefficient, power factor, and electron thermal conductance buy using transmittance.

  • ZT.py is a script to calculate thermoelectric figure of merit. If you have the data of phonon thermal conductance depends on temperature, this script is available.

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Python scripts to calculate thermoelectric properties by using NEGF method in OpenMX code (http://www.openmx-square.org/).

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