This record has versions v1, v2. This is version v1.
×

Recommended by

Indexed by

A unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials

Tommaso Chiarotti1*

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

* Corresponding authors emails: tommaso.chiarotti@epfl.ch
DOI10.24435/materialscloud:vv-1t [version v1]

Publication date: Jan 27, 2022

How to cite this record

Tommaso Chiarotti, A unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials, Materials Cloud Archive 2022.14 (2022), doi: 10.24435/materialscloud:vv-1t.

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.

Materials Cloud sections using this data

No Explore or Discover sections associated with this archive record.

Files

File name Size Description
archive.tar
MD5md5:e460c055bdd97a2cff9e88bdc1f6fabb
682.5 MiB Tar archive providing 10 folders for the calculation, one for each density. See README.txt for further details.

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

Keywords

computational materials science many-body perturbation theory (GW) homogeneous electron gas SNSF embedding theory Dyson equation

Version history:

2022.15 (version v2) Jan 28, 2022 DOI10.24435/materialscloud:mx-3a
2022.14 (version v1) [This version] Jan 27, 2022 DOI10.24435/materialscloud:vv-1t