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Manuscript Title: LIBXC: a library of exchange and correlation functionals for density functional theory
Authors: Miguel A. L. Marques, Micael J. T. Oliveira, Tobias Burnus
Program title: LIBXC
Catalogue identifier: AEMU_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 183(2012)2272
Programming language: C with Fortran bindings.
Computer: All.
Operating system: All.
RAM: 1Kb
Keywords: Density functional theory, Density functionals, Local density approximation, Generalized gradient approximation, Hybrid functionals.
PACS: 71.15.Mb, 31.15.E-.
Classification: 7.3, 16.1.

Nature of problem:
Evaluation of the exchange-correlation energy functional and its derivatives. This is a fundamental part of any atomic, molecular, or solid-state code that uses density-functional theory.

Solution method:
The values of the energy functional and its derivatives are given in a real grid of mesh points.

Running time:
Typically much smaller than the remainder of the electronic structure code. The running time has a natural linear scaling with the number of grid points.