[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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