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!