Can electronic thermal conductivity and Seebeck coefficient be calculated by EPW code in the future

[guodonglin]

Dear Developer，

Can electronic thermal conductivity and Seebeck coefficient be calculated by EPW code in the future. Although the BoltzTraP code can do, the energy calculated by EPW and other DFT code is different. As a result, the electrical transport properties calculated by EPW are not consistent with the electronic thermal conductivity and Seebeck coefficient calculated by other software. In order to maintain the consistency of the calculation, we need to calculate the electronic thermal conductivity and Seebeck coefficient together using EPW code.

Regards

Donglin Guo

[jsyeb]

Dear Donglin,

Calculations of the Seebeck coefficient and electronic thermal conductivity will be available in future versions of EPW. As you know, unlike the BoltzTrap code, calculations using EPW directly calculate the scattering rate of electrons without using constant relaxation time approximation. Then, the values ​​may vary.

Best,
Sungyeb Jung