-
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...
- Free
software ABINIT ACES (CFOUR)
AIMAll BigDFT COLUMBUS CONQUEST CP2K
Dalton DIRAC DP code
FLEUR FreeON MADNESS MOPAC MPQC
NWChem Octopus OpenMolcas P****C...
-
Spectroscopy Facility and a
member of the
international advisory committee of
ABINIT (The
opensource DFT software). "Fellows".
Retrieved April 22, 2017. "Matthieu...
- polymers, surfaces...), set up and
analyze ab-initio (Quantum Espresso, VASP,
Abinit, NWChem...) or
classical (LAMMPS, Towhee)
simulations Nanoengineer-1 – developed...
- (7): 075116. Bibcode:2010PhRvB..82g5116D. doi:10.1103/PhysRevB.82.075116.
ABINIT CASTEP (to
calculate NMR properties) CP2K (in form of
their Gaussian and...
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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...
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other applications of FMO. The FMO
method is
implemented in
GAMESS (US),
ABINIT-MP, PAICS, and
OpenFMO software packages,
distributed free of charge. Fu...
- can be
solved with the ****istance of
Nakanishi integral representation.
ABINIT Araki–Sucher
correction Breit equation Lippmann–Schwinger
equation Schwinger–Dyson...
-
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...
