[Wannier] Relaxation time for using Boltzmann wannier interface for thermal conductivity

[Giovanni Pizzi]

Dear Baidya,
To properly compute the relaxation time, you need to consider what are the scattering contributions (e.g. electron-phonon, …) and compute the scattering time with a code that can consider these effects.

Note that the constant-relaxation time (as implemented in BoltzWann) is a very crude approximation, more generally you will get a time that depends on the band and kpoint. If you get this information, extending the BoltzWann code to consider a (n,k)-dependent relaxation time should be relatively straightforward.

Best,
Giovanni


On 5 Sep 2018, at 04:14, S Baidya <santubaidya2009 at gmail.com<mailto:santubaidya2009 at gmail.com>> wrote:

Dear wannier90 users,

   I am doing thermal conductivity calculation with Boltzwann interface using wannier90. I see that to calculate thermal properties one needs to provide a relaxation time. In the tutorial examples relaxation time is given as 10 fs. But for different materials relaxation time should not be same. So, can anyone tell me if the code works with any relaxation time or how should I get the relaxation time to calculate right thermal properties.

Any suggestions would be appreciated.

Thank you,

Santu Baidya
Seoul National University
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