/kproj

KPROJ: A Band Unfolding Program

Primary LanguageFortranGNU General Public License v3.0GPL-3.0

KPROJ: A Band Unfolding Program

This program is currently interfaced to VASP. It can do band unfoldings for both bulk and interface systems modelled in supercells. For interfaces, it uses a technique combining FFT and back FFT, which accelerates the calculation significantly.

Contact: Mingxing Chen (mxchen@hunnu.edu.cn), School of Physics and Electronics, Hunan Normal University, Changsha, Hunan 410081, China.

KPROJ was released under GPL V3. Use of KPROJ should reference:

Layer k-projection and unfolding electronic bands at interfaces, Mingxing Chen and M. Weinert, Phys. Rev. B 98, 245421 (2018).