How to determine exact energy values that good to plot in Seebeck vs Temperature?

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Kanij Fatima

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Dec 27, 2023, 11:47:08 AM12/27/23
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Good evening everyone. I am currently working on the research for the thermoelectric properties of the double perovskite structure. I'm using BoltzTraP to determine the thermoelectric properties and plot them using BoltzTraP_tools (python). I'm still a beginner in this software as per my question above I want to know how to choose the best energy for calculation?
But as you know from trace2. file (case.trace2) in BoltzTraP code there is a lot of energy list so I want to know how to choose among them?
For example - the picture shows the Seebeck as a function of E-Ef. So from the graph how are we going to determine which energy is good to plot for Seebeck as a function of Temperature. Here I attached the trace file, trace2 file, intrans file.
Thank you in advance!
Seebeck.png
BT.trace2
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