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Xavier Andrade edited Forces and geometry optimization.tex
over 9 years ago
Commit id: bbd8352540caf6bfa1a5742780fcf94528274405
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diff --git a/Forces and geometry optimization.tex b/Forces and geometry optimization.tex
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% \vec{R}_\ia)\frac{\partial \phi_{\io}(\vec{r})}{\partial \vec{r}}
\right]\ .
\end{equation}
%
As we show in section \ref{sec:numerical:forces}, this last form has
advantages for the numerical implementation and for the precision of
the result.
This previous transformation has two advantages for numerical implementations:
First, it is not necessary to implement the derivative of the ionic