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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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 ⓘ

Referenced by (1)

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

density functional theory → implementedIn → VASP ⓘ