KSSOLV - a MATLAB toolbox for solving the Kohn-Sham equations.
Resource URI: https://dblp.l3s.de/d2r/resource/publications/journals/toms/YangMLW09
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2009
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KSSOLV - a MATLAB toolbox for solving the Kohn-Sham equations.
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Kohn-Sham equations, Planewave discretization, density functional theory (DFT), direct constrained minimization (DCM), electronic structure calculation, nonlinear eigenvalue problem, pseudopotential, self-consistent field iteration (SCF)
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KSSOLV - a MATLAB toolbox for solving the Kohn-Sham equations.
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