We are pleased to announce Siesta 4.1.5, a production-level release in the 4.1 branch, which introduced, among others, the following new features:
- N-electrode TranSiesta with much improved performance.
- New solver options (including ELPA, enabling GPU acceleration).
- Spin-orbit coupling (in the on-site approximation).
- Gate support.
- More mixing and constraints options.
- Lua scripting.
- Improved utilities, including a rewrite of TBtrans.
If you were using a beta version in the 4.1 branch, or any of the older 4.0.X versions, you are highly encouraged to update to 4.1.5.
The release can be found in the Gitlab site
Please read the Release Notes shipped with the sources, which may also be found here
Note in particular the BACKWARD COMPATIBILITY ISSUES sections in the Release Notes for some important issues regarding backwards compatibility with prior versions.
See the file REPORTING_BUGS in the Docs/ directory of the distribution for instructions on how to report bugs and suggestions.