22 January 2016 2 7K Report

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

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