SIESTA
E645127
SIESTA is a computational physics and chemistry software package that performs efficient electronic structure calculations within density functional theory using localized basis sets.
All labels observed (1)
| Label | Occurrences |
|---|---|
| SIESTA canonical | 1 |
How this entity was disambiguated
This entity first appeared as the object of triple T7150641 — resolving that mention is where its identity was fixed. The disambiguator weighed these candidate entities and picked the highlighted one (or “None”, minting a new entity). This is how homonymy is resolved: the same surface form can point to different entities.
NED1
Entity disambiguation (via context triple)
gpt-5-mini-2025-08-07
Target entity: SIESTA Context triple: [density functional theory, implementedIn, SIESTA]
-
A.
Siatista
Siatista is a historic town in Western Macedonia, Greece, known for its traditional mansions, fur trade, and cultural heritage.
-
B.
Siasi
Siasi is an island municipality in the southern Philippines known for its predominantly Muslim population, fishing-based economy, and location within the Sulu Sea.
-
C.
Stiva
Stiva is the familiar nickname of Stepan Arkadyevich Oblonsky, a charming, pleasure-loving Moscow nobleman and key supporting character in Leo Tolstoy’s novel "Anna Karenina."
-
D.
Sieda
Sieda is the surname of Abdulbaset Sieda, a Syrian-Kurdish academic and opposition political figure.
-
E.
Saisiyat
The Saisiyat are one of Taiwan’s indigenous Austronesian-speaking peoples, known for their distinctive culture and the legendary Pasta’ay (Dwarf) ritual.
- F. None of above. chosen
- G. Unsure - the case is ambiguous/there is not enough information to decide.
NED2
Entity disambiguation (via description)
gpt-5-mini-2025-08-07
Target entity: SIESTA Target entity description: SIESTA is a computational physics and chemistry software package that performs efficient electronic structure calculations within density functional theory using localized basis sets.
-
A.
Siatista
Siatista is a historic town in Western Macedonia, Greece, known for its traditional mansions, fur trade, and cultural heritage.
-
B.
Siasi
Siasi is an island municipality in the southern Philippines known for its predominantly Muslim population, fishing-based economy, and location within the Sulu Sea.
-
C.
Stiva
Stiva is the familiar nickname of Stepan Arkadyevich Oblonsky, a charming, pleasure-loving Moscow nobleman and key supporting character in Leo Tolstoy’s novel "Anna Karenina."
-
D.
Sieda
Sieda is the surname of Abdulbaset Sieda, a Syrian-Kurdish academic and opposition political figure.
-
E.
Saisiyat
The Saisiyat are one of Taiwan’s indigenous Austronesian-speaking peoples, known for their distinctive culture and the legendary Pasta’ay (Dwarf) ritual.
- F. None of above. chosen
Statements (46)
| Predicate | Object |
|---|---|
| instanceOf |
ab initio simulation package
ⓘ
density functional theory code ⓘ |
| designedFor | efficient large-scale simulations ⓘ |
| hasFeature |
band structure analysis tools
ⓘ
density of states analysis tools ⓘ geometry optimization algorithms ⓘ localized atomic orbital basis ⓘ molecular dynamics engine ⓘ pseudopotential formalism ⓘ real-space grid integration ⓘ |
| hasInterfaceType | command-line interface ⓘ |
| optimizedFor | linear-scaling calculations ⓘ |
| supportsBoundaryConditions |
non-periodic boundary conditions
ⓘ
periodic boundary conditions ⓘ |
| supportsCalculationType |
band structure calculations
ⓘ
density of states calculations ⓘ geometry optimization ⓘ ground-state electronic structure calculations ⓘ molecular dynamics ⓘ |
| supportsExchangeCorrelation |
generalized gradient approximation
ⓘ
local density approximation ⓘ |
| supportsParallelization |
MPI
ⓘ
shared-memory parallelization ⓘ |
| supportsProperty |
atomic forces
ⓘ
band structure ⓘ charge density ⓘ density of states ⓘ spin density ⓘ stress tensor ⓘ total energy ⓘ |
| supportsSystemType |
bulk solids
ⓘ
molecules ⓘ nanostructures ⓘ surfaces ⓘ |
| usedInField |
computational chemistry
ⓘ
condensed matter physics ⓘ materials science ⓘ nanotechnology research ⓘ |
| usesBasisSetType |
localized basis sets
ⓘ
numerical atomic orbitals ⓘ |
| usesMethod |
Kohn–Sham density functional theory
ⓘ
linked to:
Kohn–Sham equations
density functional theory ⓘ self-consistent field method ⓘ |
| usesRepresentation |
pseudopotentials
ⓘ
real-space grid ⓘ |
| writtenInLanguage | Fortran ⓘ |
How these facts were elicited
The pipeline generated the facts above by prompting gpt-5.1 with this entity's name + description and the instruction below.
Instruction
You are a knowledge base construction expert. Given a subject entity and a description of it, return factual statements that you know for the subject as a JSON list of dictionaries(triples), where keys must be "subject", "predicate" and "object". The number of facts may be very high, between 25 to 50 or more, for very popular subjects. For less popular subjects, the number of facts can be very low, like 5 or 10. # Requirements - If you don't know the subject at all, return an empty list. - If the subject is not a named entity, return an empty list. - Include at least one triple where predicate is "instanceOf". - Do not get too wordy. - Separate several objects into multiple triples with one object.
Input
Subject: SIESTA Description of subject: SIESTA is a computational physics and chemistry software package that performs efficient electronic structure calculations within density functional theory using localized basis sets.
Referenced by (1)
Full triples — surface form annotated when it differs from this entity's canonical label.