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events:2016_summer_school:gpw

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events:2016_summer_school:gpw [2018/06/16 21:36]
mwatkins [Energy ripples]
events:2016_summer_school:gpw [2018/06/16 21:39] (current)
mwatkins [Real space integration]
Line 398: Line 398:
 \sum_{\alpha \beta} P_{\alpha \beta} \bar{\phi}_{\alpha \beta} (\mathbf{r}) = n(\mathbf{R}) \sum_{\alpha \beta} P_{\alpha \beta} \bar{\phi}_{\alpha \beta} (\mathbf{r}) = n(\mathbf{R})
 $$ $$
-where $n(\mathbf{R})$ is the density at grid points in the cell, and $\bar{\phi}_{\alpha \beta}$ are the products of two basis functions +where $n(\mathbf{R})$ is the density at grid points in the cell, and $\bar{\phi}_{\alpha \beta}$ are the products of two basis functions.
-{{materials/​collocate.bmp}}+
  
   * numerical approximation of the gradient $n(\mathbf{R}) \rightarrow \nabla n(\mathbf{R})$   * numerical approximation of the gradient $n(\mathbf{R}) \rightarrow \nabla n(\mathbf{R})$
events/2016_summer_school/gpw.txt · Last modified: 2018/06/16 21:39 by mwatkins