small changes

diff --git a/posic/thesis/basics.tex b/posic/thesis/basics.tex
index cba8c5626362e9512c93717412d7a88c16e6a85e..bc1641065e0210c09a99bfe08ca5b6e9f0cc8995 100644 (file)
--- a/posic/thesis/basics.tex
+++ b/posic/thesis/basics.tex
@@ -631,10 +631,8 @@ The path exhibiting the minimal energy difference determines the diffusion path
 
 \begin{figure}[t]
 \begin{center}
-\subfigure[]{\label{fig:basics:crto}
-\includegraphics[width=0.5\textwidth]{crt_orig.eps}}
-\subfigure[]{\label{fig:basics:crtm}
-\includegraphics[width=0.5\textwidth]{crt_mod.eps}}
+\subfigure[]{\label{fig:basics:crto}\includegraphics[width=0.45\textwidth]{crt_orig.eps}}
+\subfigure[]{\label{fig:basics:crtm}\includegraphics[width=0.45\textwidth]{crt_mod.eps}}
 \end{center}
 \caption{Schematic of the constrained relaxation technique (a) and of a modified version (b) used to obtain migration pathways and corresponding configurational energies.}
 \label{fig:basics:crt}
@@ -655,10 +653,9 @@ In the modified version respective energies could be higher than the real ones d
 
 Structures of maximum configurational energy do not necessarily constitute saddle point configurations, i .e. the method does not guarantee to find the true minimum energy path.
 Whether a saddle point configuration and, thus, the minimum energy path is obtained by the CRT method, needs to be verified by caculating the respective vibrational modes.
-
 Modifications used to add the CRT feature to the VASP code and a short instruction on how to use it can be found in appendix \ref{app:patch_vasp}.
-Due to these constraints obtained activation energies can effectively be higher.
 
 % todo
 % advantages of pw basis with respect to hellmann feynman forces / pulay forces
+% crt sketch needs increased text