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.

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All labels observed (2)

Label	Occurrences
VASP canonical	2
Vienna Ab initio Simulation Package	2

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 ⓘ linked to: VASP
applicationDomain	materials design ⓘ nanotechnology ⓘ solid-state physics ⓘ surface science ⓘ
countryOfOrigin	Austria ⓘ
developer	Georg Kresse ⓘ Jürgen Furthmüller ⓘ University of Vienna ⓘ
field	computational materials science ⓘ condensed matter physics ⓘ quantum chemistry ⓘ
fullName	Vienna Ab initio Simulation Package ⓘ linked to: VASP
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 ⓘ OpenMP ⓘ
programmingLanguage	Fortran ⓘ
requiresLicense	yes ⓘ
supportsMethod	DFT+U ⓘ GW approximation ⓘ 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

Referenced by (4)

Full triples — surface form annotated when it differs from this entity's canonical label.

density functional theory → implementedIn → VASP ⓘ

Kohn–Sham equations → implementedIn → VASP ⓘ

VASP → fullName → Vienna Ab initio Simulation Package ⓘ

linked to: VASP

VASP → abbreviationOf → Vienna Ab initio Simulation Package ⓘ