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

[Giovanni Pizzi]

Hi,
As far as I’m aware of, the code has not been written - but if you modify the code following the contributions guidelines<https://github.com/wannier-developers/wannier90/wiki/ContributorsGuide>, please do a Pull Request so we can incorporate the changes in the main code.

Giovanni



On 20 Sep 2018, at 11:01, S Baidya <santubaidya2009 at gmail.com<mailto:santubaidya2009 at gmail.com>> wrote:

Thank you very much for you reply.

I have just one more question related to Boltzwann code. Is it possible to replace TDF function in the thermal conductivity expression in Boltzwann.F90 code with anomalous Hall conductivity function of energy.
Is there any such code available. Actually it would be useful for studying electronic part of thermal Hall conductivity.

Thank you,

Santu Baidya






On Thu, 6 Sep 2018 at 19:40, Giovanni Pizzi <giovanni.pizzi at epfl.ch<mailto:giovanni.pizzi at epfl.ch>> wrote:
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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