DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations (Q2698744)

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DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations
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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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