Vienna Ab initio Simulation Package

GPTKB entity

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
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	7
https://www.w3.org/2000/01/rdf-schema#label	Vienna Ab initio Simulation Package