Pacote: libxc9 (5.2.3-1 e outros) [debports]

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Library of Exchange-Correlation Functionals

LibXC is a library of exchange-correlation (XC) functionals for density-functional theory (DFT). The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by other codes. Supported XC functionals include:

 * Local Density Approximation (LDA) functionals including Slater exchange,
   and VWN, Perdew-Zunger or PADE correlation.
 * Generalized Gradient Approximation (GGA) XC functionals including PBE,
   PW91, BLYP, HCTH93, HCTH120, HCTH147, HCTH407, as well as B88 exchange and
   LYP or P86 correlation.
 * Hybrid XC functionals including B3LYP, PBE0, B97, X3LYP, BHANDH, HSE03
   and HSE06.
 * Meta-GGA XC functionals including TPSS, M05 and M06.

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Download de libxc9

Baixe para todas as arquiteturas disponíveis

Arquitetura	Versão	Tamanho do pacote	Tamanho instalado	Arquivos
sparc64 (porte não oficial)	5.2.3-1+b1	3,615.9 kB	12,581.0 kB	[lista de arquivos]