A first-principles materials simulation code using DFT
((** PLEASE NOTE: SIESTA DEVELOPMENT HAS MOVED TO THE Gitlab PLATFORM **))
While some historical releases are still available in Launchpad, updates and new code will be available ONLY in the official repository:
https:/
For an overview of the different strands of development, see:
https:/
-------
SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. SIESTA's efficiency stems from the use of strictly localized basis sets and from the implementation of linear-scaling algorithms which can be applied to suitable systems. A very important feature of the code is that its accuracy and cost can be tuned in a wide range, from quick exploratory calculations to highly accurate simulations matching the quality of other approaches, such as plane-wave methods.
View full history Series and milestones
trunk series is the current focus of development.
All code Code
- Version control system:
- Bazaar
- Programming languages:
- Fortran
All blueprints Latest blueprints
-
Transiesta calculation was a Gamma calculation while you request transmission k-points
Registered -
Resubmission of a tbtrans calculaitons
Registered -
DFT calculation
Registered -
tmp file problem on execution
Registered -
Compatibility of spin-orbit and LDA+U features
Registered
More contributors Top contributors
- Sandra Rodriguez 500 points