Dear,
Hello. I am a junior studying DFT for thermoelectric materials.
I am in the elementary step for DFT calculation. I can only get VASP outputs for some materials.
The question is "how can I choose the transport direction in the thermoelectric matrials using VASP and BoltzTraP?".
Because the transport direction in the material affects to the properties such as conductivity.
I cannot even be sure the transport direction is wright expression. I just used it after googling.
I hope to take advice from seniors in this field.
Sincerely,
Garam Choi