Inspect a system#
The following methods report basic properties without modifying the system.
Total energy. |
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Total enthalpy. |
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Forces on ions. |
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Stress tensor. |
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Pressure. |
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Box volume. |
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Box vectors (lattice vectors). |
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Cartesian coordinates of ions. |
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Electron density on the grid. |
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Grid size along all three dimensions. |
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Plane wave energy cutoff for the current box vectors and grid. |