QUEELS software for calculation of energy loss processes in TEELS, REELS, XPS, and AES including effects of the core hole

QUEELS is for calculation of energy loss processes in TEELS, REELS, XPS, and AES including effects of the core hole
It is based on a dielectric response description of the interaction of the moving electron with the electrons of the solid and includes the boundary effects imposed by the particular experimental situation. Its validity has been verified in several experiments.

The QUEELS software can be downloaded at: doi: 10.5281/zenodo.6022426
QUEELS is free to use for non-commercial applications.

The software is based on theory published in the papers:
1. J. Lindhard, Kgl Danske Vid Selsk Mat-Fys Medd 28:8 (1954)
2. R H. Ritchie, Phys. Rev.  106, p. 874 (1957)
3. F. Yubero and S. Tougaard, Phys. Rev. B46, p. 2486, (1992)
4. F. Yubero, JM Sanz,  B. Ramskov, S. Tougaard, Phys. Rev. B53, p. 9719,(1996)
5. AC. Simonsen, F. Yubero,  S. Tougaard, Phys. Rev. B56, p. 1612, (1997)
 

A brief summary of the theory behind QUEELS and discussion of its practical application is published in the paper which can be downloaded here: :https://doi-org.proxy1-bib.sdu.dk/10.1002/sia.7095.
S. Tougaard, N. Pauly, F. Yubero, QUEELS: Software to calculate the energy loss processes in TEELS, REELS, XPS, and AES including effects of the core hole, Surf. Interf. Anal. 54, p. 820-833 (2022). 
A brief users guide is available in the supplementary material to this paper.

The only input needed in QUEELS is the dielectric function of the material expressed by the so called energy loss function (ELF) as a sum of oscillators.

You may get acquainted with the software by reproducing the spectra shown in the guide and the abovementioned paper for Au and Si.
To do this, you first copy the files ELF_Au.txt and ELF_Si.txt into a folder e.g. C:\ELF\ELF_Au.txt. Then read the file with the "Set Material Parameters"  menu in QUEELS.

ELF for a range of other materials can be found in: 
Pauly, Nicolas, Yubero, Francisco, & Tougaard, Sven. (2022). ELF dielectric functions for various materials. (1.0) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.6024064

Copyright (c) 2001-2022 All rights reserved
QUEELS software is developed by Sven Tougaard and Francisco Yubero
Sven Tougaard, Dept of Physics, Chemistry, and Pharmacy, University of Southern Denmark, DK-5230 Odense M, Denmark
Francisco Yubero, Inst. de Ciencia de Materiales de Sevilla, Isla de la Cartuja, E-41092 Sevilla, Spain
(e-mails: svt@sdu.dk and yubero@icmse.csic.es)