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Optimisation Of Basis Sets And Pseudopotentials

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Optimisation of Basis Sets and Pseudopotentials

Optimisation of Basis Sets and Pseudopotentials

www.cp2k.org

Optimisation of Basis Sets and Pseudopotentials. Electronic structure methods in CP2K GPW: Gaussian and plane waves method-Goedecker-Teter-Hutter pseudopotentials -Gaussian basis sets for valence electrons GAPW: Gaussian and augmented plane waves method-all electron calculations 2. LCAO 3

  Sets, Basis, Optimisation, Pseudopotentials, Basis set, Optimisation of basis sets and pseudopotentials

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