Thermal conductivity from BTE

[brucefan1983]

Calculating the lattice thermal conductivity based on the Boltzmann transport equation (BTE) and lattice dynamics (harmonic and anharmonic).

[brucefan1983]

There is already a fast GPU-based BTE code called GPU_PBTE: https://gitlab.com/xiaokun.gu/GPU_PBTE

I think there is no need for GPUMD to achieve similar goals any more.

[shdchen]

Perhaps, it would still be helpful to have another independent GPU implementation of the BTE code. Different implementation may have different efficiency. And it would be nice to couple the BTE code with NEP. NEP-BTE should be able to achieve the accuracy of DFT-BTE, with much less computational cost.

[shdchen]

Look forward to NEP-BTE. :-)

[brucefan1983]

OK, but this will have very low priority!

[shdchen]

OK. Understood. Thanks.