07 February 2025
SIESTA 5.2.2 has been released!
MaX is pleased to announce the release of SIESTA 5.2.2 incorporating new features, improvements, and bug fixes.
MaX lighthouse code SIESTA is a first-principles materials simulation program based on density-functional theory (DFT) that enables the treatment of large systems with first-principles electronic-structure methods. The possibility of treating large systems with some first-principles electronic-structure methods has opened up new opportunities in many disciplines. SIESTA is an open source code and has been increasingly used by researchers in geosciences, biology, and engineering, apart from materials physics and chemistry.
The latest release of SIESTA adds a number of new functionalities and sets a firm ground for future integrations that will extend the applicability and performance of the software. In particular, this minor release includes a fix for an obnoxious memory leak due to the new mesh algorithm, some improvements on the basis set generation algorithm, and a few new features for the ELSI interface. For a more comprehensive overview of SIESTA 5.2.2 release, please visit the dedicated release note on the SIESTA website.
Download the latest SIESTA release: SIESTA 5.2.2