[Wien] The effects of temperature on electronic band structure

baolingh@umich.edu baolingh at umich.edu
Wed Jul 12 19:46:07 CEST 2006


Dear Wien2K users,
    I am interested in the effects of temperature on the electrical 
transport properties, such as the Seebeck coefficients and electrical 
conductivity. First of all, I want to know the effects on the band 
structure. It seems this can be done with the help of perturbation 
theory. But I don't know how to introduce the temperature in the 
calculation. Does anyone know how to do it in Wien2K without changing 
the initial atomic positions? Your help is gratefully appreciated.

Thanks very much

Baoling Huang


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