[Wien] Seebeck coefficient_Boltztrap

Hannan.Sadek at uv.es Hannan.Sadek at uv.es
Mon Apr 4 06:34:06 CEST 2016


Dear Wien2k users;
I'm using the boltztrap code to study the thermoelectric properties of some semiconducting materials. 
I run the process and I got the results. But I have a problem; when I drew the figure that represents the Seebeck coefficient as a function of the chemical potential, I didn't get the curve symmetric around zero chemical potential. I got the curve at the right of the zero chemical potential. 
Also I tried to reproduce the examples that are given in the package like Bi2te3, to know if it is happened only with these materials, and I had the same problem. 
What could be the mistake that I did in the calculations?
Best regards
Hannan



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