Messages

1

General Questions and Answers / Re: Wigner-Seitz

« on: July 24, 2017, 09:49 »

Hello,
Can you tell me the calculation process of phonon calculation using Wigner-Seitz approximation？
I checked the "Enable Wigner-Seitz scheme", but only got the phonon frequency at Gamma point. I don't know why.
Thank you very much!

2

Scripts, Tutorials and Applications / Re: script for calculating Seebeck coeffient, thermal conductance, and ZT

« on: April 29, 2013, 02:14 »

Please find an updated script which is more stable than the previous version.

Dear Dr. Stockbro,

Does the script for calculating Seebeck coeffient, thermal conductance and ZT not consider the influence of electron chemical potential? How to get the ZT with different chemical potential?

Thank you!

Wu-Xing Zhou