Vienna Ab initio Simulation Package

URI: https://gptkb.org/entity/Vienna_Ab_initio_Simulation_Package
GPTKB entity
Statements (30)
Predicate Object
gptkbp:instanceOf gptkb:software
gptkbp:abbreviation gptkb:VASP
gptkbp:author gptkb:Georg_Kresse
gptkb:Jürgen_Furthmüller
gptkbp:basisSet plane wave
gptkbp:citation gptkb:Kresse,_G._&_Furthmüller,_J._(1996)._Efficient_iterative_schemes_for_ab_initio_total-energy_calculations_using_a_plane-wave_basis_set._Phys._Rev._B_54,_11169.
gptkbp:countryOfOrigin gptkb:Austria
gptkbp:developer gptkb:University_of_Vienna
gptkbp:field computational physics
materials science
quantum chemistry
gptkbp:firstReleased 1993
gptkbp:format plain text
https://www.w3.org/2000/01/rdf-schema#label Vienna Ab initio Simulation Package
gptkbp:license proprietary
gptkbp:method gptkb:density_functional_theory
ab initio quantum mechanical calculations
gptkbp:parallelization gptkb:MPI
gptkb:OpenMP
gptkbp:platform gptkb:Windows
gptkb:Unix
gptkb:Linux
gptkbp:programmingLanguage gptkb:Fortran
gptkbp:pseudopotentialType gptkb:projector_augmented-wave_(PAW)
ultrasoft pseudopotentials
gptkbp:usedFor molecular dynamics simulations
electronic structure calculations
gptkbp:website https://www.vasp.at/
gptkbp:bfsParent gptkb:VASP
gptkbp:bfsLayer 6