DFT-FE 1.0: a massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization (Q6043077)
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scientific article; zbMATH DE number 7682148
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | DFT-FE 1.0: a massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization |
scientific article; zbMATH DE number 7682148 |
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DFT-FE 1.0: a massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization (English)
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4 May 2023
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electronic structure
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real-space
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spectral finite-elements
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mixed-precision arithmetic
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pseudopotential
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all-electron
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GPU
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