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[ 原始碼: libxc  ]

套件:libxc9(5.2.3-1 以及其他的)

libxc9 的相關連結

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下載原始碼套件 libxc

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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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下載 libxc9

下載可用於所有硬體架構的
硬體架構 版本 套件大小 安裝後大小 檔案
amd64 5.2.3-1+b2 3,772。9 kB11,941。0 kB [檔案列表]