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ABINIT is an open-source
suite of
programs for
materials science,
distributed under the GNU
General Public License.
ABINIT implements density functional...
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mechanical stresses.Utilize DFT
software such as VASP,
Quantum ESPRESSO, or
ABINIT. Overall,
conduct tests to
ensure that
results are
independent of com****tional...
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Spectroscopy Facility and a
member of the
international advisory committee of
ABINIT (The
opensource DFT software). "Fellows".
Retrieved April 22, 2017. "Matthieu...
- Free
software ABINIT ACES (CFOUR)
AIMAll BigDFT COLUMBUS CONQUEST CP2K
Dalton DIRAC DP code
FLEUR FreeON MADNESS MOPAC MPQC
NWChem Octopus OpenMolcas P****C...
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Jaguar Yes Yes Yes No Yes Yes Yes Yes Yes Yes Yes Yes No Yes Yes
Libxc Abinit ADF APE
Atomistix ToolKit AtomPAW BigDFT Castep CP2K DP Elk
ERKALE exciting...
- Free
software ABINIT ACES (CFOUR)
AIMAll BigDFT COLUMBUS CONQUEST CP2K
Dalton DIRAC DP code
FLEUR FreeON MADNESS MOPAC MPQC
NWChem Octopus OpenMolcas P****C...
- (7): 075116. Bibcode:2010PhRvB..82g5116D. doi:10.1103/PhysRevB.82.075116.
ABINIT CASTEP (to
calculate NMR properties) CP2K (in form of
their Gaussian and...
- Free
software ABINIT ACES (CFOUR)
AIMAll BigDFT COLUMBUS CONQUEST CP2K
Dalton DIRAC DP code
FLEUR FreeON MADNESS MOPAC MPQC
NWChem Octopus OpenMolcas P****C...
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Package License†
Language MPI
OpenMP GPU I/O
libraries Parallel I/O
ABINIT Free, GPL
Fortran Yes Yes Yes, CUDA Yes, HDF5,
NetCDF Yes,
Fortran and HDF5...
- ab
initio (Latin for from the beginning)
solvers (software)
exist (e.g.,
ABINIT, CASTEP, Gaussian, Q-Chem,
Quantum ESPRESSO, SIESTA, VASP, WIEN2k). Electrons...
