×

Libxc

swMATH ID: 6863
Software Authors: Marques, Miguel A. L.; Oliveira, Micael J. T.; Burnus, Tobias
Description: Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by all the ETSF codes and also other codes. In libxc you can find different types of functionals: LDA, GGA, hybrids, mGGA (experimental) and LCA (not working). These functionals depend on local information, in the sense that the value of the potential at a given point depends only on the values of the density – and the gradient of the density and the kinetic energy density, for the GGA and mGGA cases, or the vorticity for LCA – at a given point
Homepage: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc
Source Code:  https://github.com/ElsevierSoftwareX/SOFTX-D-17-00051
Keywords: library; ETSF codes
Related Software: OCTOPUS; ABINIT; Gmsh; lobpcg.m; Dftatom; NWChem; WIEN2k; Quantum Espresso; APE; DFT-FE; CheFSI; KSSOLV; BLOPEX; BigDFT; GAUSSIAN; ClusterES; ISOGAT; featom; DBSR_HF; GEMPIC
Cited in: 15 Documents

Standard Articles

1 Publication describing the Software Year
Recent developments in libxc - A comprehensive library of functionals for density functional theory Link
Susi Lehtola; Conrad Steigemann; Micael J.T. Oliveira; Miguel A.L. Marques
2018

Citations by Year