Release of Siesta-4.0.1

04 Jul 2017

We are pleased to announce the release of Siesta-4.0.1 This version should be the default choice for production for most users.

You can read the Release Notes and obtain the tarball in the release page.

Note in particular the BACKWARD COMPATIBILITY ISSUES and the TECHNICAL NOTES sections in the Release Notes for some important issues regarding backwards compatibility with 3.X versions and previous development snapshots.

See the file REPORTING_BUGS in the Docs/ directory of the distribution for instructions to report bugs and suggestions.

This release fixes several bugs related to non-colinear spin calculations as well as some memory-related issues that may cause segmentation faults in rare occasions. Issues with the Util/STM/ol-stm program have been fixed while its functionality has increased. Lastly some extra control and logging capabilities have been added to facilitate the use of Siesta in external computational frameworks.