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.