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Fixed minor issue in the documentation of the BotzWann code, on the d…
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…efinition of V (total volume of the system)
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Marco Gibertini committed Feb 19, 2019
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Expand Up @@ -47,7 +47,7 @@ \section{Theory}
\Sigma_{ij}(\varepsilon) = \frac 1 V \sum_{n,\bvec k} v_i(n,\bvec k) v_j(n,\bvec k) \tau(n,\bvec k) \delta(\varepsilon - E_{n,k}).
\end{equation*}

In the above formula, the sum is over all bands $n$ and all states $\bvec k$ (including spin, even if the spin index is not explicitly written here). $E_{n,\bvec k}$ is the energy of the $n-$th band at $\bvec k$, $v_i(n,\bvec k)$ is the $i-$th component of the band velocity at $(n,\bvec k)$, $\delta$ is the Dirac's delta function, $V$ is the cell volume, and finally $\tau$ is the relaxation time. In the \emph{relaxation-time approximation} adopted here, $\tau$ is assumed as a constant, i.e., it is independent of $n$ and $\bvec k$ and its value (in fs) is read from the input variable \verb#boltz_relax_time#.
In the above formula, the sum is over all bands $n$ and all states $\bvec k$ (including spin, even if the spin index is not explicitly written here). $E_{n,\bvec k}$ is the energy of the $n-$th band at $\bvec k$, $v_i(n,\bvec k)$ is the $i-$th component of the band velocity at $(n,\bvec k)$, $\delta$ is the Dirac's delta function, $V = N_k \Omega_c$ is the total volume of the system ($N_k$ and $\Omega_c$ being the number of $k$-points used to sample the Brillouin zone and the unit cell volume, respectively), and finally $\tau$ is the relaxation time. In the \emph{relaxation-time approximation} adopted here, $\tau$ is assumed as a constant, i.e., it is independent of $n$ and $\bvec k$ and its value (in fs) is read from the input variable \verb#boltz_relax_time#.

\section{Files}
\subsection{{\tt seedname\_boltzdos.dat}}
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