ABINIT

E645121

density functional theory code electronic structure code materials science software software suite

ABINIT is an open-source software suite for first-principles calculations of the electronic structure and properties of materials using density functional theory and related methods.

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Statements (61)

Predicate	Object
instanceOf	density functional theory code ⓘ electronic structure code ⓘ materials science software ⓘ software suite ⓘ
hasFeature	MPI parallelization ⓘ OpenMP parallelization ⓘ density-functional perturbation theory ⓘ finite-temperature calculations ⓘ graphical post-processing via external tools ⓘ linear-response calculations ⓘ non-collinear magnetism ⓘ parallel computing support ⓘ pseudopotential generation tools ⓘ spin-polarized calculations ⓘ spin–orbit coupling ⓘ
hasInputFormat	text-based input files ⓘ
hasOutput	electronic structure data ⓘ material properties data ⓘ
hasPrimaryApplication	first-principles calculations ⓘ
hasWebsite	https://www.abinit.org/ ⓘ
implements	plane-wave basis set ⓘ pseudopotential formalism ⓘ
isFreeSoftware	true ⓘ
license	GNU General Public License ⓘ
supportsCalculation	band structure ⓘ density of states ⓘ dielectric properties ⓘ elastic properties ⓘ finite electric field properties ⓘ forces ⓘ geometry optimization ⓘ ground-state electronic structure ⓘ molecular dynamics ⓘ nonlinear optical properties ⓘ optical properties ⓘ phonon properties ⓘ piezoelectric properties ⓘ polarization ⓘ response functions ⓘ stresses ⓘ total energy ⓘ vibrational properties ⓘ
supportsPlatform	Linux ⓘ Unix-like systems ⓘ high-performance computing clusters ⓘ
supportsPseudopotentialType	norm-conserving pseudopotentials ⓘ projector augmented-wave method ⓘ ultrasoft pseudopotentials ⓘ
supportsSystemType	molecules ⓘ nanostructures ⓘ periodic solids ⓘ surfaces ⓘ
targetUserCommunity	computational materials scientists ⓘ condensed matter physicists ⓘ quantum chemists ⓘ
usesMethod	Bethe–Salpeter equation NERFINISHED ⓘ GW approximation NERFINISHED ⓘ density functional theory ⓘ many-body perturbation theory ⓘ time-dependent density functional theory ⓘ
writtenInLanguage	Fortran NERFINISHED ⓘ

Referenced by (1)

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

density functional theory → implementedIn → ABINIT ⓘ