gpw
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gpw [2018/02/16 13:00] – [Smoothing] 195.19.236.218 | gpw [2024/10/01 05:27] (current) – [Cutoff] tkuehne | ||
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For historical reasons the density of the grid is given as the energy (in Ry) of the highest reciprocal vector that can be represented on the grid. This can be roughly given as $0.5(\pi/ | For historical reasons the density of the grid is given as the energy (in Ry) of the highest reciprocal vector that can be represented on the grid. This can be roughly given as $0.5(\pi/ | ||
- | It turns out that if one wants to put the whole density on the grid, the core electrons of even the simplest atoms cannot be represented, | + | It turns out that if one wants to put the whole density on the grid, the core electrons of even the simplest atoms cannot be represented, |
===== Smoothing ===== | ===== Smoothing ===== |
gpw.1518786051.txt.gz · Last modified: 2020/08/21 10:15 (external edit)