Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: Design, analysis, and scalability test of parallel algorithms (Q5953491)
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scientific article; zbMATH DE number 1694707
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| English | Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: Design, analysis, and scalability test of parallel algorithms |
scientific article; zbMATH DE number 1694707 |
Statements
Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: Design, analysis, and scalability test of parallel algorithms (English)
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24 January 2002
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parallelization schemes
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localized orbitals
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linear-scaling DFT algorithm
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110,592-atom gallium arsenide system
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0.8886128067970276
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0.8079128265380859
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0.7937735319137573
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0.788124680519104
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