Statements (50)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:software
electronic structure calculation software |
| gptkbp:citation |
gptkb:X._Gonze_et_al.,_Computer_Physics_Communications_180,_2582-2615_(2009)
X. Gonze et al., Phys. Rev. B 88, 075117 (2013) |
| gptkbp:developer |
gptkb:ABINIT_group
gptkb:Matthieu_Torrent gptkb:Xavier_Gonze |
| gptkbp:firstReleased |
2000
|
| gptkbp:format |
text files
|
| https://www.w3.org/2000/01/rdf-schema#label |
ABINIT
|
| gptkbp:license |
gptkb:GNU_General_Public_License
|
| gptkbp:parallelization |
gptkb:MPI
gptkb:OpenMP hybrid MPI/OpenMP |
| gptkbp:platform |
gptkb:Windows
gptkb:macOS gptkb:Linux |
| gptkbp:relatedTo |
gptkb:WIEN2k
gptkb:CASTEP gptkb:SIESTA gptkb:Quantum_ESPRESSO gptkb:VASP |
| gptkbp:supports |
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 |
| gptkbp:usedFor |
gptkb:time-dependent_density_functional_theory
gptkb:GW_approximation materials science quantum chemistry molecular dynamics density functional theory calculations phonon calculations response functions |
| gptkbp:website |
https://www.abinit.org/
|
| gptkbp:writtenBy |
gptkb:Fortran
|
| gptkbp:bfsParent |
gptkb:Quantum_ESPRESSO
|
| gptkbp:bfsLayer |
6
|