Hello,
with BoltzTraP2 you can _not_ get the carriers concentration but you can fix
it to have the properties with respect to temperature.
You can neither get the relaxation time, but again you should be able to define
it a posteriori or even maybe before the calculation (in the input file)
Hi Nileema,
here is a good starting point for m*:
https://www.mail-archive.com/search?q=effective+mass=wien%40zeus.theochem.tuwien.ac.at
There will be very soon a possibility to compute m* directly in WIEN2k
using a perturbation theory.
The carrier concentration depends on experimental
Dear developers and users
For thermoelectric calculations I want to find "effective mass" of
carriers. Is there any way I can calculate it using band-structures (by
fitting a polynomial equation), since it is related to the second
derivative of energy w.r.t. k. Or else, can we get carrier
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