From: hackbard
Date: Sat, 24 Sep 2011 22:43:27 +0000 (+0200)
Subject: another comma
X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=commitdiff_plain;h=a3831cc8a0d5bd03cbc1b0907bd11168416fd4b2
another comma
---
diff --git a/posic/thesis/simulation.tex b/posic/thesis/simulation.tex
index 094c482..1c9de40 100644
--- a/posic/thesis/simulation.tex
+++ b/posic/thesis/simulation.tex
@@ -74,7 +74,7 @@ Thus, investigating supercells containing more than 56 primitive cells or $112\p
Throughout this work sampling of the BZ is restricted to the $\Gamma$ point.
The calculation is usually two times faster and half of the storage needed for the wave functions can be saved since $c_{i,q}=c_{i,-q}^*$, where the $c_{i,q}$ are the Fourier coefficients of the wave function.
As discussed in section~\ref{subsection:basics:bzs} this does not pose a severe limitation if the supercell is large enough.
-Indeed, it was shown~\cite{dal_pino93} that already for calculations involving only 32 atoms energy values obtained by sampling the $\Gamma$ point differ by less than \unit[0.02]{eV} from calculations using the Baldereschi point~\cite{baldereschi73}, which constitutes a mean-value point in the BZ.
+Indeed, it was shown~\cite{dal_pino93} that already for calculations involving only 32 atoms, energy values obtained by sampling the $\Gamma$ point differ by less than \unit[0.02]{eV} from calculations using the Baldereschi point~\cite{baldereschi73}, which constitutes a mean-value point in the BZ.
Thus, the calculations of the present study on supercells containing $108$ primitive cells can be considered sufficiently converged with respect to the $k$-point mesh.
\subsection{Energy cut-off}