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gptkbp:instanceOf
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gptkb:electronic_structure_calculation_software
gptkb:software
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gptkbp:citation
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gptkb:X._Gonze_et_al.,_Computer_Physics_Communications_180,_2582-2615_(2009)
X. Gonze et al., Phys. Rev. B 88, 075117 (2013)
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gptkbp:developer
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gptkb:ABINIT_group
gptkb:Matthieu_Torrent
gptkb:Xavier_Gonze
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gptkbp:firstReleased
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2000
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gptkbp:format
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text files
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gptkbp:license
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gptkb:GNU_General_Public_License
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gptkbp:parallelization
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gptkb:MPI
gptkb:OpenMP
hybrid MPI/OpenMP
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gptkbp:platform
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gptkb:Windows
gptkb:macOS
gptkb:Linux
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gptkbp:relatedTo
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gptkb:WIEN2k
gptkb:CASTEP
gptkb:SIESTA
gptkb:Quantum_ESPRESSO
gptkb:VASP
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gptkbp:supports
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gptkb:DFT+U
molecular dynamics
periodic boundary conditions
Berry phase calculations
band structure calculations
finite temperature calculations
geometry optimization
pseudopotentials
spin-polarized calculations
dielectric properties calculations
elastic properties calculations
finite electric field calculations
non-collinear magnetism
optical properties calculations
plane-wave basis sets
vibrational properties calculations
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gptkbp:usedFor
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gptkb:time-dependent_density_functional_theory
gptkb:GW_approximation
materials science
quantum chemistry
molecular dynamics
density functional theory calculations
phonon calculations
response functions
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gptkbp:website
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https://www.abinit.org/
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gptkbp:writtenBy
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gptkb:Fortran
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gptkbp:bfsParent
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gptkb:DFT+U
gptkb:Quantum_ESPRESSO
gptkb:Density_Functional_Theory_(DFT)
gptkb:Quantum_Espresso
gptkb:PBEsol_functional
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gptkbp:bfsLayer
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8
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https://www.w3.org/2000/01/rdf-schema#label
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ABINIT
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