SIESTA (computer program): Difference between revisions

Revision as of 15:39, 18 January 2021

Revision as of 12:49, 4 February 2021

Line 94:

* Efficient implementation of Van der Waals functional

* [[Wannier function]] implementation

* TranSIESTA/TBTrans module (NEW!with Inany versionnumber 4.of electrodes N>=1)

* On-site Coulomb corrections (DFT+U) (NEW! In version 4.1)

* Description of strong localized electrons, transition metal oxides

* [[Spin-orbit coupling]] (SOC) (NEW! In version 4.1)

* Topological insulator, semiconductor structures, and quantum-transport calculations

* NEB (Nudged Elastic Band) (interfacing with [https://github.com/siesta-project/flos LUA]) (NEW! In version 4.1)

== Solutions under development ==