[Wien] how to choose the Significant value of tou in boltztrap calculation

[saurabh singh]

Dear All users,
There are various tou (tauref, tauexp, taurefen, tempexp, taureftemp)
parameters used in the case.intrans file for doing the boltztrap
calculation. How and what are the values one can set for these parameters.
In the reference Durczewski et al. PRB 61 5303 (2000) it is suggested that
the value of tauexp (scattering constant parameter r ) should not exceed
the value 4. Is there any way to select the values of various tou in
boltztrap calculation for the interested thermoelectric materials, and if
any then what is the range or max limit ??? I am doing the calculation for
ZnV2O4 compound by using the touexp value 26, with this touexp value it
gives the thermopower value well matching with experimental value in
300-600 K temperature range. It is my request to suggest me the method or
expression by which one can choose the tou value which make the physical
sense with the interesting compound calculations. You can also suggest some
articles or books which gives the details of relaxation time dependent
thermoelectric behaviour in high temperature range. i will be highly
thankful for you reply. Looking for a positive response very soon.

Thanks a lot.


-Regards
Saurabh Singh
IIT Mandi
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