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Manuscript Title: Plato: A localised orbital based density functional theory code
Authors: S.D. Kenny, A.P. Horsfield
Program title: Plato
Catalogue identifier: AEFC_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 180(2009)2616
Programming language: C/MPI and PERL.
Computer: Apple Macintosh, PC, Unix machines.
Operating system: Unix, Linux and Mac OS X.
Has the code been vectorised or parallelized?: Yes, up to 256 processors tested.
RAM: Up to 2 Gbytes per processor
Keywords: Density functional theory, Localised orbitals.
PACS: 71.15.-m, 71.15.Ap, 71.15.Mb.
Classification: 7.3.

External routines: LAPACK, BLAS and optionally ScaLAPACK, BLACS, PBLAS, FFTW

Nature of problem:
Density functional theory study of electronic structure and total energies of molecules, crystals and surfaces.

Solution method:
Localised orbital based density functional theory.

Restrictions:
Tight-binding and density functional theory only, no exact exchange.

Unusual features:
Both atom centred and uniform meshes available. Can deal with arbitrary angular momenta for orbitals, whilst still retaining Slater-Koster tables for accuracy.

Running time:
Test cases will run in a few minutes, large calculations may run for several days.