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KPROJ: A Band Unfolding Program

License: GNU General Public License v3.0

Fortran 98.75% Makefile 1.21% Shell 0.03%

kproj's Introduction

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 ([email protected]), 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).

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