Siesta with psolver source code - article version

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Authors: Julien Kolbecher
Cited by: 0

Abstract

The code is also available on Gitlab: https://gitlab.com/LePython/siesta-forked/-/tree/psolver-5.0-article This work is part of the BLESSED project, funded by the European Union (Grant Agreement No.\ 101072578). Work supported by the Spanish MCIN/AEI/10.13039/501100011033 and by ERDF A way of making Europe through Grant PID2022-139776NB-C62. This project has received funding from EuroHPC JU-EU under the “MAX” project (Grant No. 101093374), and from Grant PCI2022-134972-2 funded by the Spanish MCIN/AEI/10.13039/501100011033 and the European Union NextGenerationEU/PRTR. The ICN2 is supported by the Severo Ochoa Centres of Excellence programme, Grant No. CEX2021-001214-S, funded by MCIN/AEI/10.13039.501100011033. The authors also acknowledge the computer resources at MareNostrum5, Storage5, and the technical support provided by BSC (RES-QHS-2025-1-0037).

Fields of Study & Subjects

Matrix Theory and Algorithms Parallel Computing and Optimization Techniques Advanced Chemical Physics Studies

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
9 March 2026
Language
EN