X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Fthesis%2Fsimulation.tex;fp=posic%2Fthesis%2Fsimulation.tex;h=054173729d596b837d32c0157a018ac72ceb0de5;hp=61987840223730ade5c55c39807d9dedfa225bb0;hb=b8498dc8e01da8b6f85deb667e983e0d06ef2058;hpb=32c21339532fd82f670e5de878b9273da610eb99 diff --git a/posic/thesis/simulation.tex b/posic/thesis/simulation.tex index 6198784..0541737 100644 --- a/posic/thesis/simulation.tex +++ b/posic/thesis/simulation.tex @@ -23,7 +23,7 @@ The basis is given by $x_1=(0.5,-0.5,0)$, $x_2=(0.5,0.5,0)$ and $x_3=(0,0,1)$. Type 3 (Fig.~\ref{fig:simulation:sc3}) contains 4 primitive cells with 8 atoms and corresponds to the unit cell shown in Fig.~\ref{fig:sic:unit_cell}. The basis is simple cubic. -In the following an overview of the different simulation procedures and respective parameters is presented. +In the following, an overview of the different simulation procedures and respective parameters is presented. These procedures and parameters differ depending on whether classical potentials or {\em ab initio} methods are used and on what is going to be investigated. \section{DFT calculations}