Statements (27)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:software
|
| gptkbp:application |
electronic structure calculations
density functional theory calculations |
| gptkbp:developer |
gptkb:Emilio_Artacho
gptkb:Javier_Soler gptkb:Pablo_Ordejón |
| gptkbp:feature |
molecular dynamics
periodic boundary conditions geometry optimization pseudopotentials spin-polarized calculations van der Waals corrections linear-scaling DFT localized basis sets |
| gptkbp:field |
computational chemistry
materials science |
| gptkbp:firstReleased |
1996
|
| gptkbp:fullName |
gptkb:Spanish_Initiative_for_Electronic_Simulations_with_Thousands_of_Atoms
|
| https://www.w3.org/2000/01/rdf-schema#label |
SIESTA
|
| gptkbp:license |
gptkb:GPL
|
| gptkbp:programmingLanguage |
gptkb:Fortran
|
| gptkbp:usedBy |
materials scientists
researchers in physics researchers in chemistry |
| gptkbp:website |
https://departments.icmab.es/leem/siesta/
|
| gptkbp:bfsParent |
gptkb:Quantum_ESPRESSO
|
| gptkbp:bfsLayer |
6
|