VASP
E645118
atomistic simulation package
computational physics software
density functional theory code
electronic structure calculation code
plane-wave DFT code
VASP is a widely used first-principles computational physics software package for performing electronic structure calculations and atomistic simulations of materials.
All labels observed (1)
| Label | Occurrences |
|---|---|
| VASP canonical | 1 |
How this entity was disambiguated
This entity first appeared as the object of triple T7150632 — 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: VASP Context triple: [density functional theory, implementedIn, VASP]
-
A.
MOPAC
MOPAC is the strategic oversight body responsible for holding the Metropolitan Police Service in London to account and setting policing priorities on behalf of the Mayor.
-
B.
GSAS
GSAS is Harvard University's Graduate School of Arts and Sciences, which oversees most of the institution's PhD and many master's programs in the arts and sciences.
-
C.
GSAS
GSAS is the Graduate School of Arts and Sciences at the University of Tokyo, a major division responsible for advanced interdisciplinary education and research in the humanities and sciences.
-
D.
VMD
VMD is the acronym for the Veterinary Medicines Directorate, the UK government agency responsible for regulating veterinary medicines and promoting animal health and welfare.
-
E.
density functional theory
Density functional theory is a quantum mechanical method for calculating the electronic structure and properties of many-body systems, widely used in physics, chemistry, and materials science.
- 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: VASP Target entity description: VASP is a widely used first-principles computational physics software package for performing electronic structure calculations and atomistic simulations of materials.
-
A.
MOPAC
MOPAC is the strategic oversight body responsible for holding the Metropolitan Police Service in London to account and setting policing priorities on behalf of the Mayor.
-
B.
GSAS
GSAS is Harvard University's Graduate School of Arts and Sciences, which oversees most of the institution's PhD and many master's programs in the arts and sciences.
-
C.
GSAS
GSAS is the Graduate School of Arts and Sciences at the University of Tokyo, a major division responsible for advanced interdisciplinary education and research in the humanities and sciences.
-
D.
VMD
VMD is the acronym for the Veterinary Medicines Directorate, the UK government agency responsible for regulating veterinary medicines and promoting animal health and welfare.
-
E.
density functional theory
Density functional theory is a quantum mechanical method for calculating the electronic structure and properties of many-body systems, widely used in physics, chemistry, and materials science.
- F. None of above. chosen
Statements (52)
| Predicate | Object |
|---|---|
| instanceOf |
atomistic simulation package
ⓘ
computational physics software ⓘ density functional theory code ⓘ electronic structure calculation code ⓘ plane-wave DFT code ⓘ |
| abbreviationOf | Vienna Ab initio Simulation Package NERFINISHED ⓘ |
| applicationDomain |
materials design
ⓘ
nanotechnology ⓘ solid-state physics ⓘ surface science ⓘ |
| countryOfOrigin | Austria ⓘ |
| developer |
Georg Kresse
NERFINISHED
ⓘ
Jürgen Furthmüller NERFINISHED ⓘ University of Vienna NERFINISHED ⓘ |
| field |
computational materials science
ⓘ
condensed matter physics ⓘ quantum chemistry ⓘ |
| fullName | Vienna Ab initio Simulation Package NERFINISHED ⓘ |
| licenseType |
commercial license
ⓘ
proprietary license ⓘ |
| notableFor |
accuracy and efficiency for periodic systems
ⓘ
wide use in electronic structure calculations of solids ⓘ |
| operatingSystem |
Linux
ⓘ
Unix-like systems ⓘ |
| parallelization |
MPI
NERFINISHED
ⓘ
OpenMP NERFINISHED ⓘ |
| programmingLanguage | Fortran NERFINISHED ⓘ |
| requiresLicense | yes ⓘ |
| supportsMethod |
DFT+U
ⓘ
GW approximation NERFINISHED ⓘ Hartree–Fock-like exact exchange ⓘ density functional theory ⓘ hybrid functionals ⓘ many-body perturbation theory ⓘ random phase approximation ⓘ time-dependent density functional theory ⓘ |
| supportsSimulationType |
ab initio molecular dynamics
ⓘ
band structure calculations ⓘ defect calculations ⓘ density of states calculations ⓘ elastic properties calculations ⓘ electronic structure calculations ⓘ finite temperature simulations ⓘ geometry optimization ⓘ molecular dynamics ⓘ optical properties calculations ⓘ phonon calculations ⓘ surface calculations ⓘ |
| targetUser |
academic researchers
ⓘ
industrial researchers ⓘ |
| usesBasisSet | plane waves ⓘ |
| usesPseudopotentials | projector augmented-wave method ⓘ |
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: VASP Description of subject: VASP is a widely used first-principles computational physics software package for performing electronic structure calculations and atomistic simulations of materials.
Referenced by (1)
Full triples — surface form annotated when it differs from this entity's canonical label.