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AiiDAlab-QE XPS App

AiiDA AiiDAlab Quantum

General information

App homepage: Go to app homepage

Documentation: Go to app documentation

Detailed information

Author(s): X. Wang, M. H. A. Bertràn, P. N. O. Gillespie, N. Marzari, E. Molinari, D. Prezzi, G. Pizzi

Affiliation(s): Paul Scherrer Institute, CNR-NANO S3, Università di Modena e Reggio Emilia, Ecole Polytechnique Fédérale de Lausanne

Current state: stable (version 24.04.0)

Source code: github.com

Short description: An extension to the AiiDALab-QE app for DFT calculations with Quantum ESPRESSO for computing X-ray photoelectron spectroscopy (XPS).

Most recent version: 24.04.0

Video showcase

Installation

Demonstration