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David Strubbe edited forces2.tex
over 9 years ago
Commit id: 09714618144b3d051ce9d832e27aa8656e5de0f1
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This alternative formulation of the forces can be extended
to obtain the
second order second-order derivatives of the energy with respect to the atomic displacements~\cite{Andrade2010thesis},
that which are required to calculate vibrational properties as discussed in section~\ref{sec:sternheimer}. In general, the perturbation operator associated with a ionic displacement can be written as
\begin{equation}
\label{eq:ionicpertmod}