DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations (Q2698744)
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scientific article; zbMATH DE number 7678420
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| English | DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations |
scientific article; zbMATH DE number 7678420 |
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DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations (English)
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25 April 2023
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electronic structure
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real-space
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spectral finite-elements
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ionic forces
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mixed-precision arithmetic
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pseudopotential
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all-electron
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ab-initio molecular dynamics
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