RTA solution

[zhengjian4210]

Dear Nakib,

I hope this message finds you well.

I noticed that the output log file printed the RTA solution. But there is no specific solution that expands in other directions, like the coupled iterative solution. If I want to find RTA_ph/el_kappa, what should I do?

Looking forward to your reply. Thanks.

Best regards,
Jian Zheng

[nakib]

Dear Zheng,

Thank you for the question. Sorry, I didn't quite understand what the issue is. The code outputs the RTA solution first and then prints the results of the iterative process for every iteration until convergence is reached. Could you please share the relevant section of the output log file?

Best,
Nakib

[zhengjian4210]

Thanks. Why is the RTA iteration 0? Can I perform post-processing based on the output data files in order to calculate single relaxation results by myself?

[nakib]

I don't understand the question. The RTA solution is not 0. The kappa tensor (the 9 numbers following the integer) is non-zero. We use an iterative solver which we start with the RTA as our starting point. We chose to call this iteration number 0.

I don't understand what you mean by single relaxation results.

[zhengjian4210]

Sorry, I misunderstood. You already told me the answer above. By the way, may I ask, is the code for calculating thermal conductivity in bte.f90?

[nakib]

Glad to hear that the issue is resolved.

bte.f90 contains the solvers for the Boltzmann transport equations. The module in bz_sums.f90 contains the subroutine for calculating transport coefficients. If you have an implementation of the Language Server Protocol set up with your code editor, you will be able to navigate the files and communicating subroutines easily.

[zhengjian4210]

Thank you very much for your answer. I have no other questions.