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materialscloud:2022.14
Published January 27, 2022 | Version v1
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A unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials

Creators

  • 1. Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

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Description

Data for journal article. We provide the input and outputs of the AGWX suite (see article) used in the work. Also, we add the plots of the obtained Green's function for all densities, k-points, and frequencies.

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References

Journal reference
T. Chiarotti, N. Marzari, and A. Ferretti, Phys. Rev. Research 4, 013242 (2022), doi: 10.1103/PhysRevResearch.4.013242