JuDFTteam/JuKKR: v3.6 (ICPSR doi:10.26165/JUELICH-DATA/CEPFOY)

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Document Description

Citation

Title:

JuDFTteam/JuKKR: v3.6

Identification Number:

doi:10.26165/JUELICH-DATA/CEPFOY

Distributor:

Jülich DATA

Date of Distribution:

2024-04-30

Version:

1

Bibliographic Citation:

Rüßmann, Philipp; Antognini Silva, David; Géranton, Guillaume; Bauer, David. S. G.; Baumeister, Paul F.; Bornemann, Marcel; Bouaziz, Juba; Brinker, Sascha; Chico, Jonathan; Dederichs, Peter H.; Drittler, Bernhard H.; Dos Santos, Flaviano; dos Santos Dias, Manuel; Essing, Nicolas; Klepetsanis, Ilias; Kosma, Adamantia; Long, Nguyen H.; Lounis, Samir; Mavropoulos, Phivos; Mendive Tapia, Eduardo; Oran, Cem; Papanikolaou, Nikos; Rabel, Elias; Schweflinghaus, Benedikt; Stefanou, Nikolaos; Thiess, Alexander R.; Zeller, Rudolf; Zimmermann, Bernd; Blügel, Stefan, 2024, "JuDFTteam/JuKKR: v3.6", https://doi.org/10.26165/JUELICH-DATA/CEPFOY, Jülich DATA, V1

Study Description

Citation

Title:

JuDFTteam/JuKKR: v3.6

Identification Number:

doi:10.26165/JUELICH-DATA/CEPFOY

Authoring Entity:

Rüßmann, Philipp (PGI-1 / IAS-1)

Antognini Silva, David (PGI-1 / IAS-1)

Géranton, Guillaume (PGI-1 / IAS-1)

Bauer, David. S. G. (PGI-1 / IAS-1)

Baumeister, Paul F. (PGI-1 / IAS-1 / JSC)

Bornemann, Marcel (PGI-1 / IAS-1)

Bouaziz, Juba (PGI-1 / IAS-1)

Brinker, Sascha (PGI-1 / IAS-1)

Chico, Jonathan (PGI-1 / IAS-1)

Dederichs, Peter H. (PGI-1 / IAS-1)

Drittler, Bernhard H. (PGI-1 / IAS-1)

Dos Santos, Flaviano (PGI-1 / IAS-1)

dos Santos Dias, Manuel (PGI-1 / IAS-1)

Essing, Nicolas (PGI-1 / IAS-1)

Klepetsanis, Ilias (PGI-1 / IAS-1)

Kosma, Adamantia (PGI-1 / IAS-1)

Long, Nguyen H. (PGI-1 / IAS-1)

Lounis, Samir (PGI-1 / IAS-1)

Mavropoulos, Phivos (PGI-1 / IAS-1)

Mendive Tapia, Eduardo (PGI-1 / IAS-1)

Oran, Cem (JSC)

Papanikolaou, Nikos (PGI-1 / IAS-1)

Rabel, Elias (PGI-1 / IAS-1)

Schweflinghaus, Benedikt (PGI-1 / IAS-1)

Stefanou, Nikolaos (PGI-1 / IAS-1)

Thiess, Alexander R. (PGI-1 / IAS-1)

Zeller, Rudolf (PGI-1 / IAS-1)

Zimmermann, Bernd (PGI-1 / IAS-1)

Blügel, Stefan (PGI-1 / IAS-1)

Distributor:

Jülich DATA

Access Authority:

Rüßmann, Philipp

Depositor:

Rüßmann, Philipp

Date of Deposit:

2024-04-29

Study Scope

Keywords:

Physics, density-functional theory, DFT, multiple-scattering theory, materials science, ab initio, first principles

Abstract:

The Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport

Methodology and Processing

Sources Statement

Data Access

Notes:

CC0 Waiver

Other Study Description Materials

Related Publications

Citation

Identification Number:

10.5281/zenodo.7284739

Bibliographic Citation:

Rüßmann, P., Antognini Silva, D., Bauer, D. S. G., Baumeister, P., Bornemann, P. F., Bouaziz, J., Brinker, S., Chico, J., Dederichs, P. H., Drittler, B. H., Dos Santos, F., dos Santos Dias, M., Essing, N., Géranton, G., Klepetsanis, I., Kosma, A., Long, N. H., Lounis, S., Mavropoulos, P., … Blügel, S. (2022). JuDFTteam/JuKKR: v3.6 (v3.6). Zenodo.