[QE-users] Effective mass and the unit of k

[Kazume NISHIDATE]

Dear Jiale Shen,

> The unit of vaspkit output k is known to be 1/A, and the unit of
> vasprun.xml is 2pi/A.

These are vasp specific issue.
You can ask it to the vasp developper.


I suppose you are not familiar with the band structure calculation.
First, you should watch the YouTube video describing how to calculate the Si 
band in QE. It’s a good video, I like it.

https://youtu.be/OWjSAMA0RYg


西館数芽
Kazume NISHIDATE Ph.D

Department of Systems Innovation Engineering,
Graduate School of Science and Engineering, Iwate University
4-3-5 Ueda, Morioka, Iwate, 020-8551 JAPAN
Phone:+81-19-621-6391
kazume.nishidate at gmail.com, nisidate at iwate-u.ac.jp
https://sites.google.com/site/nisidatelab/