CrysLantZ / kproj

KPROJ: A Band Unfolding Program

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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).

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KPROJ: A Band Unfolding Program

License:GNU General Public License v3.0


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Language:Fortran 98.8%Language:Makefile 1.2%Language:Shell 0.0%