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.nishid...@gmail.com, nisid...@iwate-u.ac.jp https://sites.google.com/site/nisidatelab/ _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
