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AiiDAlab-QE XAS App
AiiDA AiiDAlab Quantum
General information
App homepage: Go to app homepage
Documentation: Go to app documentation
Detailed information
Author(s): P. N. O. Gillespie, X. Wang, M. H. A. Bertràn, N. Marzari, E. Molinari, G. Pizzi, D. Prezzi
Affiliation(s): CNR-NANO S3, Paul Scherrer Institute, Università di Modena e Reggio Emilia, Ecole Polytechnique Fédérale de Lausanne, Swiss Federal Laboratories for Materials Science and Technology.
Current state: development (version 24.04.02a)
Source code: github.com
Short description: An extension to the AiiDALab-QE app for DFT calculations with Quantum ESPRESSO for computing X-ray absorption near-edge spectra (XANES).
Most recent version: 24.04.02a