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Commit 412f4365 authored by Bowy La Riviere's avatar Bowy La Riviere
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fixes typo's

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......@@ -150,7 +150,7 @@ Therefore, we consider a material with a simple shape to make the calculation fo
The easiest option people have invented so far is a box of size $V = L^3$ with **periodic boundary conditions**[^2].
Periodic boundary conditions require that the atomic displacement $\mathbf{\delta r}$ is periodic inside the material.
Let us consider a translation by $L$ in the $x$-directionL
Let us consider a translation by $L$ in the $x$-direction
$$
\mathbf{\delta r}(\mathbf{r} + L\mathbf{\hat{x}}) = \mathbf{\delta r}(\mathbf{r}).
......@@ -328,7 +328,7 @@ g(\omega) = \left\{
\right.
$$
Let us now compute $\omega_D$?
Let us now compute $\omega_D$.
We know that for a 3D system with $N$ atoms has to have exactly $3N$ phonon modes.
$$
\begin{align}
......@@ -340,7 +340,7 @@ which gives us
$$
\omega_D = v_s (6\pi^2 N)^{1/3} / L.
$$
Both $N$ and $L$ are arbitrary, however we are considering an $L×L×L$ cube with $N$ atoms, so $L / N^{1/3}$ is the distance between neighboring atoms, and therefore $\omega_D$ does not depend on the box size.
Both $N$ and $L$ are arbitrary, however we are considering an $L×L×L$ box with $N$ atoms, so $L / N^{1/3}$ is the distance between neighboring atoms, and therefore $\omega_D$ does not depend on the box size.
Using the corrected expression for the total energy that includes the high frequency cut-off, the total energy without the zero-point motion part is
$$
......
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