CALANIE: anisotropic elastic correction to the total energy, to mitigate the effect of periodic boundary conditions (Q6045772)
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scientific article; zbMATH DE number 7685716
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | CALANIE: anisotropic elastic correction to the total energy, to mitigate the effect of periodic boundary conditions |
scientific article; zbMATH DE number 7685716 |
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CALANIE: anisotropic elastic correction to the total energy, to mitigate the effect of periodic boundary conditions (English)
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12 May 2023
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point defects
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elastic dipole tensor
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anisotropic elasticity
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periodic boundary conditions
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\textit{ab initio} calculations
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